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2-Heptanol, 2,6-dimethyl-3,3-bis(phenylthio)-
SpectraBase Compound ID FFXpChv56FV
InChI InChI=1S/C21H28OS2/c1-17(2)15-16-21(20(3,4)22,23-18-11-7-5-8-12-18)24-19-13-9-6-10-14-19/h5-14,17,22H,15-16H2,1-4H3
InChIKey QWGGFWHQTJTTBE-UHFFFAOYSA-N
Mol Weight 360.57 g/mol
Molecular Formula C21H28OS2
Exact Mass 360.158158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BePqgujxCm
Name 2-Heptanol, 2,6-dimethyl-3,3-bis(phenylthio)-
CAS Registry Number 69221-15-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28OS2
InChI InChI=1S/C21H28OS2/c1-17(2)15-16-21(20(3,4)22,23-18-11-7-5-8-12-18)24-19-13-9-6-10-14-19/h5-14,17,22H,15-16H2,1-4H3
InChIKey QWGGFWHQTJTTBE-UHFFFAOYSA-N
Molecular Weight 360.574 g/mol
SMILES OC(C(Sc1ccccc1)(Sc1ccccc1)CCC(C)C)(C)C
SPLASH splash10-0w29-0592000000-64db467e19ef0fc0d50b
Source of Spectrum KC-1979-1083-0
Synonyms 2,6-Dimethyl-3,3-bis(phenylsulfanyl)-2-heptanol 2,6-Dimethyl-3,3-bis(phenylthio)heptan-2-ol
Wiley ID 1348415