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1-Butanethiol

View entire compound with spectra: 36 NMR, 10 FTIR, 1 Raman, 12 MS (GC), and 2 Near IR

1-Butanethiol
SpectraBase Compound ID EWWx48qKMfa
InChI InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3
InChIKey WQAQPCDUOCURKW-UHFFFAOYSA-N
Mol Weight 90.18 g/mol
Molecular Formula C4H10S
Exact Mass 90.050321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EdGn2IC4tXJ
Name BUTANTHIOL
CAS Registry Number 109-79-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H10S
InChI InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3
InChIKey WQAQPCDUOCURKW-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 90.183 g/mol
Solvent CDCl3
Source File Reference UNIW13368