| SpectraBase Spectrum ID |
CSLbX5dc07I |
| Name |
Ethyl 4-(ethylthio)-2-oxo-4-phenyl-butanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.097665611 u |
| Formula |
C14H18O3S |
| InChI |
InChI=1S/C14H18O3S/c1-3-17-14(16)12(15)10-13(18-4-2)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3 |
| InChIKey |
NSGXRHCKZYXJDJ-UHFFFAOYSA-N |
| Molecular Weight |
266.355 g/mol |
| SMILES |
C(CC(C=1C=CC=CC1)SCC)(C(=O)OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915046 |
