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2-Phenylthio-3-tosyl-1-propanol
SpectraBase Compound ID B0orxqKgjUG
InChI InChI=1S/C16H18O3S2/c1-13-7-9-16(10-8-13)21(18,19)12-15(11-17)20-14-5-3-2-4-6-14/h2-10,15,17H,11-12H2,1H3
InChIKey KLPIPQKJNBLBLS-UHFFFAOYSA-N
Mol Weight 322.44 g/mol
Molecular Formula C16H18O3S2
Exact Mass 322.069737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjCC80nrIAj
Name 2-Phenylthio-3-tosyl-1-propanol
Alternate Name(s) 3-[(4-methylphenyl)sulfonyl]-2-(phenylsulfanyl)-1-propanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3S2
InChI InChI=1S/C16H18O3S2/c1-13-7-9-16(10-8-13)21(18,19)12-15(11-17)20-14-5-3-2-4-6-14/h2-10,15,17H,11-12H2,1H3
InChIKey KLPIPQKJNBLBLS-UHFFFAOYSA-N
Molecular Weight 322.437 g/mol
SMILES OCC(CS(c1ccc(cc1)C)(=O)=O)Sc1ccccc1
SPLASH splash10-00rl-2900000000-d81534e540c170945ab0
Source of Spectrum F-47-5201-3
Wiley ID 1321501