| SpectraBase Spectrum ID |
GN5zKuzX9DI |
| Name |
acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-(4-hydroxy-3-nitrophenyl)-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 |
363.052506319 u |
| Formula |
C15H13N3O6S |
| InChI |
InChI=1S/C15H13N3O6S/c1-24-14(21)7-25-15-10(6-16)9(5-13(20)17-15)8-2-3-12(19)11(4-8)18(22)23/h2-4,9,19H,5,7H2,1H3,(H,17,20) |
| InChIKey |
ZJMGUIKRCCRXQL-UHFFFAOYSA-N |
| Molecular Weight |
363.344 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_1529 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8158747; Lab Info: KR; Lab Number: KR-ug00251 |
| Temperature |
29.85 °C |
![acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-(4-hydroxy-3-nitrophenyl)-6-oxo-2-pyridinyl]thio]-, methyl ester](/api/spectrum/GN5zKuzX9DI/structure.png?h=300&w=458 "acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-(4-hydroxy-3-nitrophenyl)-6-oxo-2-pyridinyl]thio]-, methyl ester")
