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Benzenepropanoic acid, .beta.-(2-amino-2-oxoethyl)-, 2-pyridinylmethyl ester
SpectraBase Compound ID 4oGrYLrpMwe
InChI InChI=1S/C17H18N2O3/c18-16(20)10-14(13-6-2-1-3-7-13)11-17(21)22-12-15-8-4-5-9-19-15/h1-9,14H,10-12H2,(H2,18,20)
InChIKey PONOHDGIZVQHNO-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C17H18N2O3
Exact Mass 298.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RfFlcGwr2
Name Benzenepropanoic acid, .beta.-(2-amino-2-oxoethyl)-, 2-pyridinylmethyl ester
Alternate Name(s) Pyridin-2-ylmethyl 4-carbamoyl-3-phenylbutanoate 5-Amino-5-oxo-3-phenylpentanoic acid 2-pyridinylmethyl ester Pyridin-2-ylmethyl 5-amino-5-oxo-3-phenylpentanoate 2-Pyridylmethyl 5-amino-5-oxo-3-phenyl-pentanoate Pyridin-2-ylmethyl 5-azanyl-5-oxidanylidene-3-phenyl-pentanoate
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Formula C17H18N2O3
InChI InChI=1S/C17H18N2O3/c18-16(20)10-14(13-6-2-1-3-7-13)11-17(21)22-12-15-8-4-5-9-19-15/h1-9,14H,10-12H2,(H2,18,20)
InChIKey PONOHDGIZVQHNO-UHFFFAOYSA-N
Molecular Weight 298.342 g/mol
SMILES NC(CC(CC(=O)OCc1ncccc1)c1ccccc1)=O
SPLASH splash10-0lxx-5920000000-ec0764657c8d7b133316
Source of Spectrum IY-2-5212-1
Wiley ID 1660104