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(S)-2-Chloro-3-(4-cyanophenyl)propanoic Acid
SpectraBase Compound ID DaEfu6q55gX
InChI InChI=1S/C10H8ClNO2/c11-9(10(13)14)5-7-1-3-8(6-12)4-2-7/h1-4,9H,5H2,(H,13,14)/t9-/m0/s1
InChIKey FJLLMLCVPWNYPT-VIFPVBQESA-N
Mol Weight 209.63 g/mol
Molecular Formula C10H8ClNO2
Exact Mass 209.024356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AlzBpKG5q49
Name (S)-2-Chloro-3-(4-cyanophenyl)propanoic Acid
Alternate Name(s) (2S)-2-chloro-3-(4-cyanophenyl)propanoic acid (2S)-2-chloranyl-3-(4-cyanophenyl)propanoic acid
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Formula C10H8ClNO2
InChI InChI=1S/C10H8ClNO2/c11-9(10(13)14)5-7-1-3-8(6-12)4-2-7/h1-4,9H,5H2,(H,13,14)/t9-/m0/s1
InChIKey FJLLMLCVPWNYPT-VIFPVBQESA-N
Molecular Weight 209.632 g/mol
SMILES OC([C@](Cc1ccc(C#N)cc1)(Cl)[H])=O
SPLASH splash10-05n0-0900000000-9c3d040ca3e9d6d2a71a
Source of Spectrum U1-2011-4019-14
Wiley ID 1665668