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Benzenebutanoic acid, .alpha.,2-diamino-3-methoxy-.gamma.-oxo-, methyl ester
SpectraBase Compound ID 6ANKPX5uEYC
InChI InChI=1S/C12H16N2O4/c1-17-10-5-3-4-7(11(10)14)9(15)6-8(13)12(16)18-2/h3-5,8H,6,13-14H2,1-2H3
InChIKey DJEGAQFFQMBWEA-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C12H16N2O4
Exact Mass 252.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRyfm0GC4lk
Name Benzenebutanoic acid, .alpha.,2-diamino-3-methoxy-.gamma.-oxo-, methyl ester
CAS Registry Number 55090-41-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O4
InChI InChI=1S/C12H16N2O4/c1-17-10-5-3-4-7(11(10)14)9(15)6-8(13)12(16)18-2/h3-5,8H,6,13-14H2,1-2H3
InChIKey DJEGAQFFQMBWEA-UHFFFAOYSA-N
Molecular Weight 252.270 g/mol
SMILES Nc1c(cccc1C(CC(C(=O)OC)N)=O)OC
SPLASH splash10-01t9-0920000000-da386e79bd22c50cc3ae
Source of Spectrum T-67-2409-0
Synonyms Methyl 2-amino-4-(2-amino-3-methoxyphenyl)-4-oxobutanoate 2-Amino-4-(2-amino-3-methoxy-phenyl)-4-keto-butyric acid methyl ester 2-Amino-4-(2-amino-3-methoxyphenyl)-4-oxobutanoic acid methyl ester Methyl 2-azanyl-4-(2-azanyl-3-methoxy-phenyl)-4-oxidanylidene-butanoate
Wiley ID 35454