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2-Phenylethanethiol

View entire compound with spectra: 3 NMR, 4 FTIR, 1 Raman, and 8 MS (GC)

2-Phenylethanethiol
SpectraBase Compound ID EuU8sW0qxtl
InChI InChI=1S/C8H10S/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey ZMRFRBHYXOQLDK-UHFFFAOYSA-N
Mol Weight 138.23 g/mol
Molecular Formula C8H10S
Exact Mass 138.050321 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FXSWM4dh052
Name 2-Phenylethanethiol
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 252581
CAS Registry Number 4410-99-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10S
InChI InChI=1S/C8H10S/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey ZMRFRBHYXOQLDK-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-Phenylethyl mercaptan Phenethyl mercaptan
Wiley ID SIAL_13CNMR_004381