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2-[(4-bromobenzoyl)amino]-3-phenyl-propionic acid methyl ester
SpectraBase Compound ID BCZWB5jGmQl
InChI InChI=1S/C17H16BrNO3/c1-22-17(21)15(11-12-5-3-2-4-6-12)19-16(20)13-7-9-14(18)10-8-13/h2-10,15H,11H2,1H3,(H,19,20)
InChIKey VQRCQNDQAWEMMF-UHFFFAOYSA-N
Mol Weight 362.22 g/mol
Molecular Formula C17H16BrNO3
Exact Mass 361.031356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jn86v9bgZD1
Name 2-[(4-bromobenzoyl)amino]-3-phenyl-propionic acid methyl ester
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Formula C17H16BrNO3
InChI InChI=1S/C17H16BrNO3/c1-22-17(21)15(11-12-5-3-2-4-6-12)19-16(20)13-7-9-14(18)10-8-13/h2-10,15H,11H2,1H3,(H,19,20)
InChIKey VQRCQNDQAWEMMF-UHFFFAOYSA-N
Molecular Weight 362.223 g/mol
SMILES N(C(=O)c1ccc(cc1)Br)C(Cc1ccccc1)C(OC)=O
SPLASH splash10-0f96-9300000000-340cd98893f25f76747d
Source of Spectrum AD-0-2532-0
Synonyms 2-[[(4-bromophenyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester l-Phenylalanine, N-(4-bromobenzoyl)-, methyl ester Methyl 2-[(4-bromobenzoyl)amino]-3-phenyl-propanoate Methyl 2-[(4-bromophenyl)carbonylamino]-3-phenyl-propanoate
Wiley ID 1422416