| SpectraBase Spectrum ID |
8yhg89unujI |
| Name |
Methyl 2-hydroxy-6-(2-methoxy-2-oxoethyl)-4-[(4-methylphenyl)sulfanyl]benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.087494849 u |
| Formula |
C18H18O5S |
| InChI |
InChI=1S/C18H18O5S/c1-11-4-6-13(7-5-11)24-14-8-12(9-16(20)22-2)17(15(19)10-14)18(21)23-3/h4-8,10,19H,9H2,1-3H3 |
| InChIKey |
KMTCJWGKUDWDJV-UHFFFAOYSA-N |
| Molecular Weight |
346.397 g/mol |
| SMILES |
C(C=1C(=CC(=CC1CC(=O)OC)SC=1C=CC(=CC1)C)O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837711 |
![Methyl 2-hydroxy-6-(2-methoxy-2-oxoethyl)-4-[(4-methylphenyl)sulfanyl]benzoate](/api/spectrum/8yhg89unujI/structure.png?h=300&w=458 "Methyl 2-hydroxy-6-(2-methoxy-2-oxoethyl)-4-[(4-methylphenyl)sulfanyl]benzoate")
