| SpectraBase Spectrum ID |
ATH3lK6pprc |
| Name |
Benzaldehyde, 3-[[(4,5-dihydro-2-thiazolyl)thio]methyl]-4-methoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.038771009 u |
| Formula |
C12H13NO2S2 |
| InChI |
InChI=1S/C12H13NO2S2/c1-15-11-3-2-9(7-14)6-10(11)8-17-12-13-4-5-16-12/h2-3,6-7H,4-5,8H2,1H3 |
| InChIKey |
ZNSNHTPJVSLMTC-UHFFFAOYSA-N |
| SMILES |
C1(=CC=C(C=C1CSC=1SCCN1)C=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956975 |