| SpectraBase Spectrum ID |
6QRmNrLewDH |
| Name |
5,8-Dimethoxy-2,3-dihydro-1-benzothiopyran-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.050715417 u |
| Formula |
C11H12O3S |
| InChI |
InChI=1S/C11H12O3S/c1-13-8-3-4-9(14-2)11-10(8)7(12)5-6-15-11/h3-4H,5-6H2,1-2H3 |
| InChIKey |
TVVWOWGNYUTHMZ-UHFFFAOYSA-N |
| Molecular Weight |
224.274 g/mol |
| SMILES |
C=12C(SCCC2=O)=C(OC)C=CC1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965382 |
