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3-Methyl-3-phenylthiohex-5-yn-2-ol
SpectraBase Compound ID 2lqMPAccPXZ
InChI InChI=1S/C13H16OS/c1-4-10-13(3,11(2)14)15-12-8-6-5-7-9-12/h1,5-9,11,14H,10H2,2-3H3
InChIKey LPOHWNPEMYYGOE-UHFFFAOYSA-N
Mol Weight 220.33 g/mol
Molecular Formula C13H16OS
Exact Mass 220.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45KjsgioW8j
Name 3-Methyl-3-phenylthiohex-5-yn-2-ol
CAS Registry Number 108378-29-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-4-10-13(3,11(2)14)15-12-8-6-5-7-9-12/h1,5-9,11,14H,10H2,2-3H3
InChIKey LPOHWNPEMYYGOE-UHFFFAOYSA-N
Molecular Weight 220.330 g/mol
SMILES OC(C(Sc1ccccc1)(CC#C)C)C
SPLASH splash10-01t9-0900000000-e188cc42a1bf95c594f9
Source of Spectrum KC-1986-1702-46
Synonyms 3-Methyl-3-(phenylsulfanyl)-5-hexyn-2-ol
Wiley ID 1219840