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Update nmr.mdx
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nicolejung authored Oct 30, 2023
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Expand Up @@ -71,14 +71,14 @@ The inline notation gives a short summary of the metadata and a list of all sign
due to the formation of the cis-isomer during the measurement of the sample. <br />
<b>(8) Example for isomers: </b>
<br />
<sup>1</sup>H NMR (500 MHz, MeOD-d<sub>4</sub> [3.31 ppm], ppm) δ = 13.23 (bs, 0.4H,
<sup>1</sup>H NMR (500 MHz, MeOD-d<sub>4</sub> [3.31 ppm]): δ [ppm] = 13.23 (bs, 0.4H,
CO<sub>2</sub>H-isomer1), 12.98 (bs, 0.6H, CO<sub>2</sub>H-isomer2), 8.24 (d, 0.6H, <i>
J
</i> = 1.5 Hz, CH-isomer2), 8.21 (d, 0.4H, <i>J</i> = 1.5 Hz, CH-isomer1), 3.30 (s,
3H, CH<sub>3</sub>-isomer1+-isomer2) etc. <br />
<b>(9) Example for assignment according to option 1:</b>
<br />
<sup>1</sup>H NMR (250 MHz, CDCl<sub>3</sub>, ppm) δ = 7.08 (dd, <i>J</i> = 7.6,
<sup>1</sup>H NMR (250 MHz, CDCl<sub>3</sub>): δ [ppm] = 7.08 (dd, <i>J</i> = 7.6,
1.2 Hz, 1H, H-5), 6.97 (ps.td, <i>J</i> = 7.6, 1.2 Hz, 1H, H-7), 6.63 (ps.td, <i>
J
</i> = 7.6, 1.2 Hz, 1H, H-6), 6.48 (dd, <i>J</i> = 7.6, 1.2 Hz, 1H, H-8), 3.85
Expand All @@ -88,7 +88,7 @@ CO<sub>2</sub>H-isomer1), 12.98 (bs, 0.6H, CO<sub>2</sub>H-isomer2), 8.24 (d, 0.
</i> = 7.0 Hz, 3H, CH<sub>3</sub>). <br />
<b>(10) Example for assignment according to option 2:</b>
<br />
<sup>1</sup>H NMR (250 MHz, CDCl<sub>3</sub>, ppm) δ = 7.08 (dd, <i>J</i> = 7.6,
<sup>1</sup>H NMR (250 MHz, CDCl<sub>3</sub>): δ [ppm] = 7.08 (dd, <i>J</i> = 7.6,
1.2 Hz, 1H, NHCC<i>H</i>), 6.97 (ps.td, <i>J</i> = 7.6, 1.2 Hz, 1H, CHCC<i>H</i>),
6.63 (ps.td, <i>J</i> = 7.6, 1.2 Hz, 1H, NHCCHC<i>H</i>), 6.48 (dd, <i>J</i> = 7.6,
1.2 Hz, 1H, CHCCHC<i>H</i>), 3.85 (bs, 1H, N<i>H</i>), 3.40–3.22 (m, 2H, NHC<i>
Expand All @@ -99,7 +99,7 @@ CO<sub>2</sub>H-isomer1), 12.98 (bs, 0.6H, CO<sub>2</sub>H-isomer2), 8.24 (d, 0.
CH<sub>3</sub>). <br />
<b>(11) Example for assignment according to option 3:</b>
<br />
<sup>1</sup>H NMR (250 MHz, CDCl<sub>3</sub>, ppm) δ = 7.08 (dd, <i>J</i> = 7.6,
<sup>1</sup>H NMR (250 MHz, CDCl<sub>3</sub>): δ [ppm] = 7.08 (dd, <i>J</i> = 7.6,
1.2 Hz, 1H, H<sub>ar</sub>), 6.97 (ps.td, <i>J</i> = 7.6, 1.2 Hz, 1H, H
<sub>ar</sub>), 6.63 (ps.td, <i>J</i> = 7.6, 1.2 Hz, 1H,<sub>ar</sub>), 6.48
(dd, <i>J</i> = 7.6, 1.2 Hz, 1H, H<sub>ar</sub>), 3.85 (bs, 1H, N<i>H</i>),
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