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2-(Benzylsulfinyl(ethanol, acetate
SpectraBase Compound ID BgU7PcEYixJ
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
Mol Weight 226.29 g/mol
Molecular Formula C11H14O3S
Exact Mass 226.066365 g/mol

Raman Spectrum

Raman Spectrum

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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