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Benzylmercaptan

View entire compound with spectra: 10 NMR, 9 FTIR, 13 MS (GC), and 2 Near IR

Benzylmercaptan
SpectraBase Compound ID 5ZgH7p1M5K3
InChI InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey UENWRTRMUIOCKN-UHFFFAOYSA-N
Mol Weight 124.2 g/mol
Molecular Formula C7H8S
Exact Mass 124.034671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4fbUy0tUKnc
Name BENZYLMERCAPTAN
CAS Registry Number 100-53-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H8S
InChI InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey UENWRTRMUIOCKN-UHFFFAOYSA-N
Literature Reference Author C.M.HALL,J.WEMPLE
Literature Reference Citation J.ORG.CHEM.,42,2118(1977)
Literature Reference DOI 10.1021/jo00432a021
Molecular Weight 124.201 g/mol
Solvent DMSO
Source File Reference UNIW13371