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2-(Hydroxymethyl)thiophenol, o,S-bis(acetyl)-

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2-(Hydroxymethyl)thiophenol, o,S-bis(acetyl)-
SpectraBase Compound ID 4VKXshPBIu
InChI InChI=1S/C11H12O3S/c1-8(12)14-7-10-5-3-4-6-11(10)15-9(2)13/h3-6H,7H2,1-2H3
InChIKey ACNFIYGSMFOLTD-UHFFFAOYSA-N
Mol Weight 224.27 g/mol
Molecular Formula C11H12O3S
Exact Mass 224.050715 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JAEDUgSo8ls
Name 2-(Hydroxymethyl)thiophenol, o,S-bis(acetyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.050715417 u
Formula C11H12O3S
InChI InChI=1S/C11H12O3S/c1-8(12)14-7-10-5-3-4-6-11(10)15-9(2)13/h3-6H,7H2,1-2H3
InChIKey ACNFIYGSMFOLTD-UHFFFAOYSA-N
Molecular Weight 224.274 g/mol
SMILES C1(SC(C)=O)=C(C=CC=C1)COC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908703