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4-Chloro-2-(3-phenyl-propionylamino)-benzoic acid
SpectraBase Compound ID 6qkoIXzQFd8
InChI InChI=1S/C16H14ClNO3/c17-12-7-8-13(16(20)21)14(10-12)18-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,18,19)(H,20,21)
InChIKey VLMYPKZXHPYVDI-UHFFFAOYSA-N
Mol Weight 303.74 g/mol
Molecular Formula C16H14ClNO3
Exact Mass 303.066221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H75IWeFqcMO
Name 4-Chloro-2-(3-phenyl-propionylamino)-benzoic acid
Alternate Name(s) 4-Chloranyl-2-(3-phenylpropanoylamino)benzoic acid 4-Chloro-2-(3-phenylpropanoylamino)benzoic acid 4-Chloro-2-(hydrocinnamoylamino)benzoic acid 4-Chloro-2-[(1-oxo-3-phenylpropyl)amino]benzoic acid
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Formula C16H14ClNO3
InChI InChI=1S/C16H14ClNO3/c17-12-7-8-13(16(20)21)14(10-12)18-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,18,19)(H,20,21)
InChIKey VLMYPKZXHPYVDI-UHFFFAOYSA-N
Molecular Weight 303.745 g/mol
SMILES N(c1c(C(=O)O)ccc(c1)Cl)C(=O)CCc1ccccc1
SPLASH splash10-00di-3900000000-4537796c5a16f6d17bee
Wiley ID 1465434