| SpectraBase Spectrum ID |
7tzmxuL0R7y |
| Name |
1-Benzyl-3-phenyl-5,7-dihydro-6,6-dioxothieno[3,4-B]pyridin-2(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.092914582 u |
| Formula |
C20H17NO3S |
| InChI |
InChI=1S/C20H17NO3S/c22-20-18(16-9-5-2-6-10-16)11-17-13-25(23,24)14-19(17)21(20)12-15-7-3-1-4-8-15/h1-11H,12-14H2 |
| InChIKey |
XSKBVCKPGAFFLY-UHFFFAOYSA-N |
| Molecular Weight |
351.420 g/mol |
| SMILES |
C12=C(C=C(C(N2CC=2C=CC=CC2)=O)C=2C=CC=CC2)CS(C1)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92897 |
![1-Benzyl-3-phenyl-5,7-dihydro-6,6-dioxothieno[3,4-b]pyridin-2(1H)-one](/api/spectrum/7tzmxuL0R7y/structure.png?h=300&w=458 "1-Benzyl-3-phenyl-5,7-dihydro-6,6-dioxothieno[3,4-b]pyridin-2(1H)-one")
