| SpectraBase Spectrum ID |
3jQH1mBSvR4 |
| Name |
acetic acid, [[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-1,4,5,6-tetrahydro-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 |
438.124942985 u |
| Formula |
C23H22N2O5S |
| InChI |
InChI=1S/C23H22N2O5S/c1-2-29-20-10-16(8-9-19(20)26)17-11-21(27)25-23(18(17)12-24)31-14-22(28)30-13-15-6-4-3-5-7-15/h3-10,17,26H,2,11,13-14H2,1H3,(H,25,27) |
| InChIKey |
RAWTZSRLNMWBDC-UHFFFAOYSA-N |
| Molecular Weight |
438.498 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_1591 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8156509; Lab Info: KR; Lab Number: KR-ug00226 |
| Temperature |
29.85 °C |
![acetic acid, [[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]-, phenylmethyl ester](/api/spectrum/3jQH1mBSvR4/structure.png?h=300&w=458 "acetic acid, [[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]-, phenylmethyl ester")
