| SpectraBase Spectrum ID |
A8Dn3xg3V3E |
| Name |
Methyl 2-(p-methoxyphenyl)-2-((2-methylphenyl)thio)-4-pentenoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.128965739 u |
| Formula |
C20H22O3S |
| InChI |
InChI=1S/C20H22O3S/c1-5-14-20(19(21)23-4,16-10-12-17(22-3)13-11-16)24-18-9-7-6-8-15(18)2/h5-13H,1,14H2,2-4H3 |
| InChIKey |
FVQSSKNGMIMQPB-UHFFFAOYSA-N |
| Molecular Weight |
342.453 g/mol |
| SMILES |
C(C(CC=C)(SC=1C(=CC=CC1)C)C=1C=CC(=CC1)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805407 |
