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(R)-3-(2,6-Dimethylphenylsulfinyl)butanoic acid isomer
SpectraBase Compound ID 3iNwjGgHQIO
InChI InChI=1S/C12H16O3S/c1-8-5-4-6-9(2)12(8)16(15)10(3)7-11(13)14/h4-6,10H,7H2,1-3H3,(H,13,14)/t10-,16?/m1/s1
InChIKey USJWWXVMBKNZJM-HQNRFAHOSA-N
Mol Weight 240.32 g/mol
Molecular Formula C12H16O3S
Exact Mass 240.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cv8DiL8NPV6
Name (R)-3-(2,6-Dimethylphenylsulfinyl)butanoic acid isomer
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Formula C12H16O3S
InChI InChI=1S/C12H16O3S/c1-8-5-4-6-9(2)12(8)16(15)10(3)7-11(13)14/h4-6,10H,7H2,1-3H3,(H,13,14)/t10-,16?/m1/s1
InChIKey USJWWXVMBKNZJM-HQNRFAHOSA-N
Molecular Weight 240.317 g/mol
SMILES OC(C[C@](S(c1c(cccc1C)C)=O)(C)[H])=O
SPLASH splash10-000m-9100000000-26657154584989f0b174
Source of Spectrum SO-0-87-3
Synonyms (3R)-3-[(2,6-dimethylphenyl)sulfinyl]butanoic acid
Wiley ID 1542859