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1-Butanol, 2-ethyl-3-methyl-2-(phenylthio)-
SpectraBase Compound ID KAXq6LdJR8D
InChI InChI=1S/C13H20OS/c1-4-13(10-14,11(2)3)15-12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3
InChIKey YFVMLOKFHNXZKK-UHFFFAOYSA-N
Mol Weight 224.36 g/mol
Molecular Formula C13H20OS
Exact Mass 224.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KXFYJQBAxF
Name 1-Butanol, 2-ethyl-3-methyl-2-(phenylthio)-
Alternate Name(s) 2-Ethyl-3-methyl-2-(phenylsulfanyl)-1-butanol 2-Ethyl-3-methyl-2-(phenylthio)butan-1-ol
CAS Registry Number 66164-90-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20OS
InChI InChI=1S/C13H20OS/c1-4-13(10-14,11(2)3)15-12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3
InChIKey YFVMLOKFHNXZKK-UHFFFAOYSA-N
Molecular Weight 224.362 g/mol
SMILES OCC(Sc1ccccc1)(C(C)C)CC
SPLASH splash10-03di-4900000000-9696ceff23ae4d297e6f
Source of Spectrum KC-1977-20-2281
Wiley ID 1225192