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2-Mercapto-1-phenyl-1,4-pentadecanediol
SpectraBase Compound ID 3EohQrYDE1Q
InChI InChI=1S/C21H36O2S/c1-2-3-4-5-6-7-8-9-13-16-19(22)17-20(24)21(23)18-14-11-10-12-15-18/h10-12,14-15,19-24H,2-9,13,16-17H2,1H3
InChIKey ONYFKIXNLDGEOL-UHFFFAOYSA-N
Mol Weight 352.6 g/mol
Molecular Formula C21H36O2S
Exact Mass 352.243602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATZOBEGMWui
Name 2-Mercapto-1-phenyl-1,4-pentadecanediol
CAS Registry Number 75732-61-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O2S
InChI InChI=1S/C21H36O2S/c1-2-3-4-5-6-7-8-9-13-16-19(22)17-20(24)21(23)18-14-11-10-12-15-18/h10-12,14-15,19-24H,2-9,13,16-17H2,1H3
InChIKey ONYFKIXNLDGEOL-UHFFFAOYSA-N
Molecular Weight 352.577 g/mol
SMILES OC(CC(C(c1ccccc1)O)S)CCCCCCCCCCC
SPLASH splash10-0a4i-8910000000-21a6d36ecf3681c8c80f
Source of Spectrum J-46-105-0
Synonyms 1-Phenyl-2-sulfanyl-1,4-pentadecanediol
Wiley ID 1343499