| SpectraBase Spectrum ID |
DOrPauq28Cr |
| Name |
2-(Phenylsulfonyl)ethyl 3-phenylpropanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.092580230 u |
| Formula |
C17H18O4S |
| InChI |
InChI=1S/C17H18O4S/c18-17(12-11-15-7-3-1-4-8-15)21-13-14-22(19,20)16-9-5-2-6-10-16/h1-10H,11-14H2 |
| InChIKey |
LBZBVVNQYMGZDW-UHFFFAOYSA-N |
| Molecular Weight |
318.387 g/mol |
| SMILES |
C(CCC=1C=CC=CC1)(=O)OCCS(=O)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843236 |
