| SpectraBase Spectrum ID |
AHCgQmoDw80 |
| Name |
acetic acid, [[3-cyano-1,4,5,6-tetrahydro-6-oxo-4-[4-(phenylmethoxy)phenyl]-2-pyridinyl]thio]-, ethyl 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 |
422.130028366 u |
| Formula |
C23H22N2O4S |
| InChI |
InChI=1S/C23H22N2O4S/c1-2-28-22(27)15-30-23-20(13-24)19(12-21(26)25-23)17-8-10-18(11-9-17)29-14-16-6-4-3-5-7-16/h3-11,19H,2,12,14-15H2,1H3,(H,25,26) |
| InChIKey |
PECTYNWEDBHKMF-UHFFFAOYSA-N |
| Molecular Weight |
422.499 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6390 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9253231; Lab Info: KR; Lab Number: KR-0000085 |
![acetic acid, [[3-cyano-1,4,5,6-tetrahydro-6-oxo-4-[4-(phenylmethoxy)phenyl]-2-pyridinyl]thio]-, ethyl ester](/api/spectrum/AHCgQmoDw80/structure.png?h=300&w=458 "acetic acid, [[3-cyano-1,4,5,6-tetrahydro-6-oxo-4-[4-(phenylmethoxy)phenyl]-2-pyridinyl]thio]-, ethyl ester")
