| SpectraBase Spectrum ID |
E60SC4XQdb9 |
| Name |
acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-(4-methoxyphenyl)-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 |
408.114378302 u |
| Formula |
C22H20N2O4S |
| InChI |
InChI=1S/C22H20N2O4S/c1-27-17-9-7-16(8-10-17)18-11-20(25)24-22(19(18)12-23)29-14-21(26)28-13-15-5-3-2-4-6-15/h2-10,18H,11,13-14H2,1H3,(H,24,25) |
| InChIKey |
QYLFTFCENDEXNQ-UHFFFAOYSA-N |
| Molecular Weight |
408.472 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8994 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9253234; Lab Info: KR; Lab Number: KR-0000089 |
![acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-(4-methoxyphenyl)-6-oxo-2-pyridinyl]thio]-, phenylmethyl ester](/api/spectrum/E60SC4XQdb9/structure.png?h=300&w=458 "acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-(4-methoxyphenyl)-6-oxo-2-pyridinyl]thio]-, phenylmethyl ester")
