| SpectraBase Spectrum ID |
9YyaSpuEomh |
| Name |
4H-1-Benzothiopyran-4-one, 2,3-dichloro-, 1-oxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.930905941 u |
| Formula |
C9H4Cl2O2S |
| InChI |
InChI=1S/C9H4Cl2O2S/c10-7-8(12)5-3-1-2-4-6(5)14(13)9(7)11/h1-4H |
| InChIKey |
LZGDHSJPMPNQSZ-UHFFFAOYSA-N |
| Molecular Weight |
247.095 g/mol |
| SMILES |
C=1(S(C2=CC=CC=C2C(C1Cl)=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907976 |
