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(R,R)-3-(Phenylsulfinyl)butanoic acid
SpectraBase Compound ID 2kLecofhdZt
InChI InChI=1S/C10H12O3S/c1-8(7-10(11)12)14(13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-,14?/m1/s1
InChIKey ACVPEWUBSSGUBA-ZSYIFEHUSA-N
Mol Weight 212.26 g/mol
Molecular Formula C10H12O3S
Exact Mass 212.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCflmrKqm2E
Name (R,S)-3-(Phenylsulfinyl)butanoic acid
Alternate Name(s) (3R)-3-(phenylsulfinyl)butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3S
InChI InChI=1S/C10H12O3S/c1-8(7-10(11)12)14(13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-,14?/m1/s1
InChIKey ACVPEWUBSSGUBA-ZSYIFEHUSA-N
Molecular Weight 212.263 g/mol
SMILES OC(C[C@]([S@](=O)c1ccccc1)(C)[H])=O
SPLASH splash10-0a6r-3910000000-4076385e572f9112b531
Source of Spectrum SO-0-87-4
Wiley ID 1542864