| SpectraBase Spectrum ID |
1aP6ydwmU6r |
| Name |
acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-(3-nitrophenyl)-6-oxo-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 |
361.073241764 u |
| Formula |
C16H15N3O5S |
| InChI |
InChI=1S/C16H15N3O5S/c1-2-24-15(21)9-25-16-13(8-17)12(7-14(20)18-16)10-4-3-5-11(6-10)19(22)23/h3-6,12H,2,7,9H2,1H3,(H,18,20) |
| InChIKey |
NEBXCODPOVARQO-UHFFFAOYSA-N |
| Molecular Weight |
361.372 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_1592 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8159371; Lab Info: KR; Lab Number: KR-ug00237 |
| Temperature |
29.85 °C |
![acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-(3-nitrophenyl)-6-oxo-2-pyridinyl]thio]-, ethyl ester](/api/spectrum/1aP6ydwmU6r/structure.png?h=300&w=458 "acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-(3-nitrophenyl)-6-oxo-2-pyridinyl]thio]-, ethyl ester")
