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(R)-3-((R)-2-Chlorophenylsulfinyl)butanoic acid isomer
SpectraBase Compound ID H0bfGdAOVmT
InChI InChI=1S/C10H11ClO3S/c1-7(6-10(12)13)15(14)9-5-3-2-4-8(9)11/h2-5,7H,6H2,1H3,(H,12,13)/t7-,15?/m1/s1
InChIKey HSQFCGUNACYGEQ-ZVHFFGPBSA-N
Mol Weight 246.71 g/mol
Molecular Formula C10H11ClO3S
Exact Mass 246.011743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1r5YZUL8TrO
Name (R)-3-((S)-2-Chlorophenylsulfinyl)butanoic acid isomer
Alternate Name(s) (3R)-3-[(2-chlorophenyl)sulfinyl]butanoic acid (S,R)-3-(2-Chlorophenylsulfinyl)butanoic acid isomer
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Formula C10H11ClO3S
InChI InChI=1S/C10H11ClO3S/c1-7(6-10(12)13)15(14)9-5-3-2-4-8(9)11/h2-5,7H,6H2,1H3,(H,12,13)/t7-,15?/m1/s1
InChIKey HSQFCGUNACYGEQ-ZVHFFGPBSA-N
Molecular Weight 246.708 g/mol
SMILES OC(C[C@]([S@@](c1c(Cl)cccc1)=O)(C)[H])=O
SPLASH splash10-03dr-8900000000-9dd183e723f87f155128
Source of Spectrum SO-0-88-4
Wiley ID 1542849