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2-(chloromethyl)-3-phenyl-propanoic acid
SpectraBase Compound ID 1TaHApQIx3l
InChI InChI=1S/C10H11ClO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)
InChIKey TWXBPDQSTAGDFG-UHFFFAOYSA-N
Mol Weight 198.65 g/mol
Molecular Formula C10H11ClO2
Exact Mass 198.044757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98pbQ12xzoA
Name 2-(chloromethyl)-3-phenyl-propanoic acid
Alternate Name(s) 2-Benzyl-3-chloro-propanoic acid 2-(chloromethyl)-3-phenylpropanoic acid 2-Benzyl-3-chloropropanoic acid
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Formula C10H11ClO2
InChI InChI=1S/C10H11ClO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)
InChIKey TWXBPDQSTAGDFG-UHFFFAOYSA-N
Molecular Weight 198.649 g/mol
SMILES OC(C(CCl)Cc1ccccc1)=O
SPLASH splash10-0006-9300000000-5489e442cccb885430a6
Source of Spectrum B-51-513-7
Wiley ID 746084