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Benzenepropanol, 4-methyl-.alpha.-[2-methyl-1,1-bis(phenylthio)propyl]-
SpectraBase Compound ID CkB0vIcRKCO
InChI InChI=1S/C26H30OS2/c1-20(2)26(28-23-10-6-4-7-11-23,29-24-12-8-5-9-13-24)25(27)19-18-22-16-14-21(3)15-17-22/h4-17,20,25,27H,18-19H2,1-3H3
InChIKey MZUSKHWJBCEFBU-UHFFFAOYSA-N
Mol Weight 422.65 g/mol
Molecular Formula C26H30OS2
Exact Mass 422.173808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID f18jERBXy3
Name Benzenepropanol, 4-methyl-.alpha.-[2-methyl-1,1-bis(phenylthio)propyl]-
Alternate Name(s) 2-Methyl-6-(p-tolyl)-3,3-bisphenylthioheptan 5-Methyl-1-(4-methylphenyl)-4,4-bis(phenylsulfanyl)-3-hexanol
CAS Registry Number 98711-70-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30OS2
InChI InChI=1S/C26H30OS2/c1-20(2)26(28-23-10-6-4-7-11-23,29-24-12-8-5-9-13-24)25(27)19-18-22-16-14-21(3)15-17-22/h4-17,20,25,27H,18-19H2,1-3H3
InChIKey MZUSKHWJBCEFBU-UHFFFAOYSA-N
Molecular Weight 422.645 g/mol
SMILES OC(C(Sc1ccccc1)(Sc1ccccc1)C(C)C)CCc1ccc(cc1)C
SPLASH splash10-00or-0918000000-87b65c285c7362d03865
Source of Spectrum KC-1985-1240-36
Wiley ID 1378741