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3-Methyl-3-phenylthio-oct-5-yn-2-ol
SpectraBase Compound ID Hv9aOJZGv7v
InChI InChI=1S/C15H20OS/c1-4-5-9-12-15(3,13(2)16)17-14-10-7-6-8-11-14/h6-8,10-11,13,16H,4,12H2,1-3H3
InChIKey HGRLVOGLLAXIDC-UHFFFAOYSA-N
Mol Weight 248.38 g/mol
Molecular Formula C15H20OS
Exact Mass 248.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8s3AcYxgr5T
Name 3-Methyl-3-phenylthio-oct-5-yn-2-ol
Alternate Name(s) 3-Methyl-3-(phenylsulfanyl)-5-octyn-2-ol
CAS Registry Number 108378-36-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20OS
InChI InChI=1S/C15H20OS/c1-4-5-9-12-15(3,13(2)16)17-14-10-7-6-8-11-14/h6-8,10-11,13,16H,4,12H2,1-3H3
InChIKey HGRLVOGLLAXIDC-UHFFFAOYSA-N
Molecular Weight 248.384 g/mol
SMILES OC(C(Sc1ccccc1)(CC#CCC)C)C
SPLASH splash10-0ik9-0960000000-0a260998013ef69a0993
Source of Spectrum KC-1986-1702-52
Wiley ID 1251232