| SpectraBase Spectrum ID |
H3sTZZbTdsb |
| Name |
acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-(3-methyl-2-thienyl)-6-oxo-2-pyridinyl]thio]-, phenylmethyl 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 |
398.075884793 u |
| Formula |
C20H18N2O3S2 |
| InChI |
InChI=1S/C20H18N2O3S2/c1-13-7-8-26-19(13)15-9-17(23)22-20(16(15)10-21)27-12-18(24)25-11-14-5-3-2-4-6-14/h2-8,15H,9,11-12H2,1H3,(H,22,23) |
| InChIKey |
NJCQCDHOIYSPKJ-UHFFFAOYSA-N |
| Molecular Weight |
398.495 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_1924 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8158331; Lab Info: KR; Lab Number: KR-ug00408 |
| Temperature |
29.85 °C |
![acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-(3-methyl-2-thienyl)-6-oxo-2-pyridinyl]thio]-, phenylmethyl ester](/api/spectrum/H3sTZZbTdsb/structure.png?h=300&w=458 "acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-(3-methyl-2-thienyl)-6-oxo-2-pyridinyl]thio]-, phenylmethyl ester")
