| SpectraBase Spectrum ID |
BDxw7FVLWuR |
| Name |
3-(3-Chlorophenylsulfanyl)but-2-enoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.016828466 u |
| Formula |
C11H11ClO2S |
| InChI |
InChI=1S/C11H11ClO2S/c1-8(6-11(13)14-2)15-10-5-3-4-9(12)7-10/h3-7H,1-2H3/b8-6+ |
| InChIKey |
IAJURXFUNWTCQH-SOFGYWHQSA-N |
| Molecular Weight |
242.720 g/mol |
| SMILES |
C=1(S\C(=C\C(=O)OC)C)C=C(Cl)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901532 |
