| SpectraBase Spectrum ID |
Lb1qaXPJPqj |
| Name |
(Z)-3-Methoxycarbonylmethylsulfanyl-acrylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
190.029979972 u |
| Formula |
C7H10O4S |
| InChI |
InChI=1S/C7H10O4S/c1-10-6(8)3-4-12-5-7(9)11-2/h3-4H,5H2,1-2H3/b4-3- |
| InChIKey |
BPXMYQKIUOFTDB-ARJAWSKDSA-N |
| Molecular Weight |
190.213 g/mol |
| SMILES |
C(\C=C/SCC(=O)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985156 |
