| SpectraBase Spectrum ID |
80kKe3kjaAV |
| Name |
4-Chloro-3,4-dihydro-1H-naphtho[2,3-C]thiapyran-5,10-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.001178402 u |
| Formula |
C13H9ClO2S |
| InChI |
InChI=1S/C13H9ClO2S/c14-10-6-17-5-9-11(10)13(16)8-4-2-1-3-7(8)12(9)15/h1-4,10H,5-6H2 |
| InChIKey |
AMWQASRLSYEBQI-UHFFFAOYSA-N |
| Molecular Weight |
264.726 g/mol |
| SMILES |
C12=C(C(=O)C3=C(C2=O)C=CC=C3)C(Cl)CSC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939241 |
![4-Chloro-3,4-dihydro-1H-naphtho[2,3-c]thiapyran-5,10-dione](/api/spectrum/80kKe3kjaAV/structure.png?h=300&w=458 "4-Chloro-3,4-dihydro-1H-naphtho[2,3-c]thiapyran-5,10-dione")
