SpectraBase Spectrum ID |
FG8OVtMqAYd |
Name |
2-(Benzylsulfinyl(ethanol, acetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
226.066365482 u |
Formula |
C11H14O3S |
InChI |
InChI=1S/C11H14O3S/c1-10(12)14-7-8-15(13)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3 |
InChIKey |
OASAKJGXEUAGSE-UHFFFAOYSA-N |
Molecular Weight |
226.290 g/mol |
Nominal Mass |
226 u |
SMILES |
C=1C(=CC=CC1)CS(CCOC(C)=O)=O |
Spectrum/Structure Validation Score (Raman) |
0.928798 |