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(2S)-2-(4-methylphenyl)propanoic acid
SpectraBase Compound ID K7oyxNJ2vOa
InChI InChI=1S/C10H12O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)/t8-/m0/s1
InChIKey KDYOFXPLHVSIHS-QMMMGPOBSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0c5U1VvO3A
Name (2S)-2-(4-methylphenyl)propanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)/t8-/m0/s1
InChIKey KDYOFXPLHVSIHS-QMMMGPOBSA-N
Molecular Weight 164.204 g/mol
SMILES OC([C@](c1ccc(cc1)C)(C)[H])=O
SPLASH splash10-014i-0900000000-359564c6ed29208a3a83
Source of Spectrum QC-12-3310-14
Synonyms (2S)-2-(p-tolyl)propanoic acid (2S)-2-(p-tolyl)propionic acid
Wiley ID 1634897