| SpectraBase Spectrum ID |
4vl5JLjX3Tg |
| Name |
acetic acid, [[3-cyano-1,4,5,6-tetrahydro-6-oxo-4-(3-thienyl)-2-pyridinyl]thio]-, methyl ester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.028934599 u |
| Formula |
C13H12N2O3S2 |
| InChI |
InChI=1S/C13H12N2O3S2/c1-18-12(17)7-20-13-10(5-14)9(4-11(16)15-13)8-2-3-19-6-8/h2-3,6,9H,4,7H2,1H3,(H,15,16) |
| InChIKey |
DEUNITGWHVVPNT-UHFFFAOYSA-N |
| Molecular Weight |
308.370 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_1928 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8178160; Lab Info: KR; Lab Number: KR-3lug285 |
| Temperature |
29.85 °C |
![acetic acid, [[3-cyano-1,4,5,6-tetrahydro-6-oxo-4-(3-thienyl)-2-pyridinyl]thio]-, methyl ester](/api/spectrum/4vl5JLjX3Tg/structure.png?h=300&w=458 "acetic acid, [[3-cyano-1,4,5,6-tetrahydro-6-oxo-4-(3-thienyl)-2-pyridinyl]thio]-, methyl ester")
