| SpectraBase Spectrum ID |
6AwravfcrCe |
| Name |
2-Ethylthio-4-oxo-4H-1-benzothiin-3-carbaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.012221908 u |
| Formula |
C12H10O2S2 |
| InChI |
InChI=1S/C12H10O2S2/c1-2-15-12-9(7-13)11(14)8-5-3-4-6-10(8)16-12/h3-7H,2H2,1H3 |
| InChIKey |
ZFTVOSOHWQNLKI-UHFFFAOYSA-N |
| Molecular Weight |
250.330 g/mol |
| SMILES |
C=1(SC=2C(C(C1C=O)=O)=CC=CC2)SCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846059 |
