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4-Fluorobenzyl mercaptan, S-(2-methylpropionyl)-

View entire compound with spectra: 1 NMR, and 1 FTIR

4-Fluorobenzyl mercaptan, S-(2-methylpropionyl)-
SpectraBase Compound ID ITYOuYDpOf0
InChI InChI=1S/C11H13FOS/c1-8(2)11(13)14-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey YJWUMSKBDCPVEJ-UHFFFAOYSA-N
Mol Weight 212.28 g/mol
Molecular Formula C11H13FOS
Exact Mass 212.067114 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9urit0DnlHF
Name 4-Fluorobenzyl mercaptan, S-(2-methylpropionyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.067114375 u
Formula C11H13FOS
InChI InChI=1S/C11H13FOS/c1-8(2)11(13)14-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey YJWUMSKBDCPVEJ-UHFFFAOYSA-N
Molecular Weight 212.282 g/mol
SMILES C1(F)=CC=C(C=C1)CSC(C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923981