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3-Pentanol, 2,2-bis(phenylthio)-

View entire compound with spectra: 2 MS (GC)

3-Pentanol, 2,2-bis(phenylthio)-
SpectraBase Compound ID Gj5waCWmDzc
InChI InChI=1S/C17H20OS2/c1-3-16(18)17(2,19-14-10-6-4-7-11-14)20-15-12-8-5-9-13-15/h4-13,16,18H,3H2,1-2H3
InChIKey DTJOQFKJWHSQEK-UHFFFAOYSA-N
Mol Weight 304.47 g/mol
Molecular Formula C17H20OS2
Exact Mass 304.095558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rz91OmCrwm
Name 3-Pentanol, 2,2-bis(phenylthio)-
CAS Registry Number 71221-33-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20OS2
InChI InChI=1S/C17H20OS2/c1-3-16(18)17(2,19-14-10-6-4-7-11-14)20-15-12-8-5-9-13-15/h4-13,16,18H,3H2,1-2H3
InChIKey DTJOQFKJWHSQEK-UHFFFAOYSA-N
Molecular Weight 304.466 g/mol
SMILES OC(C(Sc1ccccc1)(Sc1ccccc1)C)CC
SPLASH splash10-03di-0921000000-fefee7cbd7713672a713
Source of Spectrum KC-1986-188-0
Synonyms 2,2-bis(phenylsulfanyl)-3-pentanol 2,2-bis(phenylthio)-3-pentanol 2,2-bis(phenylthio)pentan-3-ol
Wiley ID 1306422