| SpectraBase Spectrum ID |
Bkyp8dBGFmr |
| Name |
benzoic acid, 3-[[(2S)-2-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-4-(methylsulfonyl)-1-oxobutyl]amino]-, ethyl ester |
| Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.135507669 u |
| Formula |
C22H24N2O6S |
| InChI |
InChI=1S/C22H24N2O6S/c1-3-30-22(27)15-8-6-9-17(13-15)23-20(25)19(11-12-31(2,28)29)24-14-16-7-4-5-10-18(16)21(24)26/h4-10,13,19H,3,11-12,14H2,1-2H3,(H,23,25) |
| InChIKey |
YWIAOJXTMQRRPN-UHFFFAOYSA-N |
| Molecular Weight |
444.502 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_1578 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12678721 |
| Temperature |
23.85 °C |
![benzoic acid, 3-[[(2S)-2-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-4-(methylsulfonyl)-1-oxobutyl]amino]-, ethyl ester](/api/spectrum/Bkyp8dBGFmr/structure.png?h=300&w=458 "benzoic acid, 3-[[(2S)-2-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-4-(methylsulfonyl)-1-oxobutyl]amino]-, ethyl ester")
