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3-(4-bromobenzyl)-4-(2,5-dimethoxyanilino)-4-keto-butyric acid
SpectraBase Compound ID 8IRFGwj2Vng
InChI InChI=1S/C19H20BrNO5/c1-25-15-7-8-17(26-2)16(11-15)21-19(24)13(10-18(22)23)9-12-3-5-14(20)6-4-12/h3-8,11,13H,9-10H2,1-2H3,(H,21,24)(H,22,23)
InChIKey CKXTYOOQMQXOLQ-UHFFFAOYSA-N
Mol Weight 422.28 g/mol
Molecular Formula C19H20BrNO5
Exact Mass 421.052486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTTDz1eVTo2
Name 3-(4-bromobenzyl)-4-(2,5-dimethoxyanilino)-4-keto-butyric acid
Alternate Name(s) 3-[(4-bromophenyl)methyl]-4-(2,5-dimethoxyanilino)-4-oxo-butanoic acid 3-[(4-bromophenyl)methyl]-4-[(2,5-dimethoxyphenyl)amino]-4-oxidanylidene-butanoic acid
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Formula C19H20BrNO5
InChI InChI=1S/C19H20BrNO5/c1-25-15-7-8-17(26-2)16(11-15)21-19(24)13(10-18(22)23)9-12-3-5-14(20)6-4-12/h3-8,11,13H,9-10H2,1-2H3,(H,21,24)(H,22,23)
InChIKey CKXTYOOQMQXOLQ-UHFFFAOYSA-N
Molecular Weight 422.275 g/mol
SMILES N(C(C(CC(=O)O)Cc1ccc(cc1)Br)=O)c1cc(OC)ccc1OC
SPLASH splash10-0f79-4900000000-f4ee713e747807ef293f
Wiley ID 1455182