| SpectraBase Spectrum ID |
KRDptuux0QZ |
| Name |
Benzenesulfinic acid, 4-methoxy-, 2-propenyl ester, (.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.050715417 u |
| Formula |
C10H12O3S |
| InChI |
InChI=1S/C10H12O3S/c1-3-8-14(11,12)10-6-4-9(13-2)5-7-10/h3-7H,1,8H2,2H3 |
| InChIKey |
YKZKONPDRQFLCO-UHFFFAOYSA-N |
| Molecular Weight |
212.263 g/mol |
| SMILES |
C=1(S(=O)(=O)CC=C)C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949563 |
