| SpectraBase Spectrum ID |
L0hVXKYuQNi |
| Name |
acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-[4-methoxy-3-(phenylmethoxy)phenyl]-6-oxo-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 |
438.124942985 u |
| Formula |
C23H22N2O5S |
| InChI |
InChI=1S/C23H22N2O5S/c1-28-19-9-8-16(10-20(19)30-13-15-6-4-3-5-7-15)17-11-21(26)25-23(18(17)12-24)31-14-22(27)29-2/h3-10,17H,11,13-14H2,1-2H3,(H,25,26) |
| InChIKey |
TXOJVMXCIMVESY-UHFFFAOYSA-N |
| Molecular Weight |
438.498 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8995 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9253235; Lab Info: KR; Lab Number: KR-0000090 |
![acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-[4-methoxy-3-(phenylmethoxy)phenyl]-6-oxo-2-pyridinyl]thio]-, methyl ester](/api/spectrum/L0hVXKYuQNi/structure.png?h=300&w=458 "acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-[4-methoxy-3-(phenylmethoxy)phenyl]-6-oxo-2-pyridinyl]thio]-, methyl ester")
