From f0904f78cf698b83452faf5df477a9e14ceef935 Mon Sep 17 00:00:00 2001 From: Nicole Jung Date: Sat, 9 Sep 2023 00:01:28 +0200 Subject: [PATCH] Update analyses_test.mdx --- docs/repo/details_standards/analyses_test.mdx | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/docs/repo/details_standards/analyses_test.mdx b/docs/repo/details_standards/analyses_test.mdx index 10890777..5be259fc 100644 --- a/docs/repo/details_standards/analyses_test.mdx +++ b/docs/repo/details_standards/analyses_test.mdx @@ -21,13 +21,13 @@ The inline notation gives a short summary of the metadata and a list of all sign (3) Example with solvent ratio where CDCl3 is used as a reference: 1H NMR (400 MHz, CDCl3/DMF-d7 5:1, 25 °C): δ [ppm] = 7.28 (dd, J = 1.6, 7.7 Hz, 1H), 7.14 (ddd, J = 8.2, 7.3, 1.6 Hz, 1H), 6.74–6.66 (m, 2H), 4.94 (s, 2H), 4.04 (br.s, 2H), 2.12 (s, 3H).

(4) Example with additional standard TMS: -1H NMR (400 MHz, CDCl3, 25 °C, TMS): δ [ppm] = 7.28 (dd, J = 1.6, 7.7 Hz, 1H), 7.14 (ddd, J = 8.2, 7.3, 1.6 Hz, 1H), 6.74–6.66 (m, 2H), 4.94 (s, 2H), 4.04 (br.s, 2H), 2.12 (s, 3H).
+1H NMR (400 MHz, CDCl3, 25 °C, TMS): δ [ppm] = 7.28 (dd, J = 1.6, 7.7 Hz, 1H), 7.14 (ddd, J = 8.2, 7.3, 1.6 Hz, 1H), 6.74–6.66 (m, 2H), 4.94 (s, 2H), 4.04 (br.s, 2H), 2.12 (s, 3H).

(5) Example with order of coupling constants, if available and required: -1H NMR (400 MHz, DMF-d7 [2.75 ppm], 25 °C): δ [ppm] = 7.28 (dd, J = 7.7, 1.6 Hz, 1H), 7.14 (ddd, 3J = 8.2, 3J = 7.3, 4J = 1.6 Hz, 1H), 6.74–6.66 (m, 2H), 4.94 (s, 2H), 4.04 (br.s, 2H), 2.12 (s, 3H).
+1H NMR (400 MHz, DMF-d7 [2.75 ppm], 25 °C): δ [ppm] = 7.28 (dd, J = 7.7, 1.6 Hz, 1H), 7.14 (ddd, 3J = 8.2, 3J = 7.3, 4J = 1.6 Hz, 1H), 6.74–6.66 (m, 2H), 4.94 (s, 2H), 4.04 (br.s, 2H), 2.12 (s, 3H).

(6) Example with couplings which are not H,H couplings: -1H NMR (400 MHz, DMF-d7 [2.75 ppm], 25 °C): δ [ppm] = 7.28 (dd, J = 1.6, J = 7.7 Hz, 1H), 7.14 (ddd, 3J = 8.2, 3JH,F = 7.3, 4J = 1.6 Hz, 1H), 6.74–6.66 (m, 2H), 4.94 (s, 2H), 4.04 (br.s, 2H), 2.12 (s, 3H).
+1H NMR (400 MHz, DMF-d7 [2.75 ppm], 25 °C): δ [ppm] = 7.28 (dd, J = 1.6, J = 7.7 Hz, 1H), 7.14 (ddd, 3J = 8.2, 3JH,F = 7.3, 4J = 1.6 Hz, 1H), 6.74–6.66 (m, 2H), 4.94 (s, 2H), 4.04 (br.s, 2H), 2.12 (s, 3H).

(7) Example with missing protons and impurities: -1H NMR (400 MHz, MeOD-d4, 25 °C): δ [ppm] = 7.28 (dd, J = 1.6, J = 7.7 Hz, 1H), 7.14 (ddd, 3J = 8.2, 3JH,F = 7.3, 4J = 1.6 Hz, 1H), 6.74–6.66 (m, 2H), 4.94 (s, 2H), 4.04 (br.s, 2H), 2.12 (s, 3H). Missing signal (1H, OH) due to H/D exchange in MeOD. Impurities: 10% impurities due to the formation of the cis-isomer during the measurement of the sample.
+1H NMR (400 MHz, MeOD-d4, 25 °C): δ [ppm] = 7.28 (dd, J = 1.6, J = 7.7 Hz, 1H), 7.14 (ddd, 3J = 8.2, 3JH,F = 7.3, 4J = 1.6 Hz, 1H), 6.74–6.66 (m, 2H), 4.94 (s, 2H), 4.04 (br.s, 2H), 2.12 (s, 3H). Missing signal (1H, OH) due to H/D exchange in MeOD. Impurities: 10% impurities due to the formation of the cis-isomer during the measurement of the sample.

(8) Example for isomers: 1H NMR (500 MHz, MeOD-d4 [3.31 ppm], ppm) δ = 13.23 (bs, 0.4H, CO2H-isomer1), 12.98 (bs, 0.6H, CO2H-isomer2), 8.24 (d, 0.6H, J = 1.5 Hz, CH-isomer2), 8.21 (d, 0.4H, J = 1.5 Hz, CH-isomer1), 3.30 (s, 3H, CH3-isomer1+-isomer2) etc.