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3-(phenylthio)-1,2-propanediol
SpectraBase Compound ID CYPQ8Iu7njd
InChI InChI=1S/C9H12O2S/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2
InChIKey ANJROQCDRGDKMV-UHFFFAOYSA-N
Mol Weight 184.25 g/mol
Molecular Formula C9H12O2S
Exact Mass 184.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtY7Q003dyV
Name 3-(Phenylsulfanyl)-1,2-propanediol
CAS Registry Number 5149-48-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O2S
InChI InChI=1S/C9H12O2S/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2
InChIKey ANJROQCDRGDKMV-UHFFFAOYSA-N
Molecular Weight 184.253 g/mol
SMILES OCC(CSc1ccccc1)O
SPLASH splash10-03ka-6900000000-87c8c3d1bc0766212858
Source of Spectrum W5-1989-25211-1
Synonyms 1-(Phenylthio)propane-2,3-diol 1,2-Propanediol, 3-phenylthio- 2,3-Dihydroxypropyl Phenyl Sulfide 3-(Phenylthio)propane-1,2-diol 3-Phenylsulfanylpropane-1,2-diol 3-Phenylthio-1,2-propanediol
Wiley ID 1180294