| SpectraBase Spectrum ID |
292B0j260gc |
| Name |
2-({1-[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2,5-dioxo-3-pyrrolidinyl}sulfanyl)nicotinic acid |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.060628650 u |
| Formula |
C20H18N2O6S2 |
| InChI |
InChI=1S/C20H18N2O6S2/c1-28-20(27)15-10-5-2-3-7-12(10)30-18(15)22-14(23)9-13(17(22)24)29-16-11(19(25)26)6-4-8-21-16/h4,6,8,13H,2-3,5,7,9H2,1H3,(H,25,26) |
| InChIKey |
CBDKWRIEAZFUJT-UHFFFAOYSA-N |
| Molecular Weight |
446.492 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_2572 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12279667 |
![2-({1-[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2,5-dioxo-3-pyrrolidinyl}sulfanyl)nicotinic acid](/api/spectrum/292B0j260gc/structure.png?h=300&w=458 "2-({1-[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2,5-dioxo-3-pyrrolidinyl}sulfanyl)nicotinic acid")
