| SpectraBase Spectrum ID |
9vyHqswMvdN |
| Name |
acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-(3-nitrophenyl)-6-oxo-2-pyridinyl]thio]-, butyl 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 |
389.104541893 u |
| Formula |
C18H19N3O5S |
| InChI |
InChI=1S/C18H19N3O5S/c1-2-3-7-26-17(23)11-27-18-15(10-19)14(9-16(22)20-18)12-5-4-6-13(8-12)21(24)25/h4-6,8,14H,2-3,7,9,11H2,1H3,(H,20,22) |
| InChIKey |
CIPXBEYHPNYVKJ-UHFFFAOYSA-N |
| Molecular Weight |
389.426 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6299 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10211961; Lab Info: KR; Lab Number: KR-KSG1G81 |
| Temperature |
23.85 °C |
![acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-(3-nitrophenyl)-6-oxo-2-pyridinyl]thio]-, butyl ester](/api/spectrum/9vyHqswMvdN/structure.png?h=300&w=458 "acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-(3-nitrophenyl)-6-oxo-2-pyridinyl]thio]-, butyl ester")
