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Benzenebutanoic acid, .beta.-[(4-bromophenyl)amino]-.alpha.,.alpha.-dimethoxy-.gamma.-oxo-, methyl ester, (.+-.)-
SpectraBase Compound ID Kp6rIEbRiTO
InChI InChI=1S/C19H20BrNO5/c1-24-18(23)19(25-2,26-3)17(16(22)13-7-5-4-6-8-13)21-15-11-9-14(20)10-12-15/h4-12,17,21H,1-3H3
InChIKey KJJMVZHJDUJDPF-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 H6CxshngOHc
Name Benzenebutanoic acid, .beta.-[(4-bromophenyl)amino]-.alpha.,.alpha.-dimethoxy-.gamma.-oxo-, methyl ester, (.+-.)-
CAS Registry Number 131857-10-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20BrNO5
InChI InChI=1S/C19H20BrNO5/c1-24-18(23)19(25-2,26-3)17(16(22)13-7-5-4-6-8-13)21-15-11-9-14(20)10-12-15/h4-12,17,21H,1-3H3
InChIKey KJJMVZHJDUJDPF-UHFFFAOYSA-N
Molecular Weight 422.275 g/mol
SMILES N(C(C(C(=O)OC)(OC)OC)C(=O)c1ccccc1)c1ccc(cc1)Br
SPLASH splash10-001i-1910000000-1ea571796cef39ba8bd4
Source of Spectrum F-46-6814-7
Synonyms Methyl 3-(4-bromoanilino)-2,2-dimethoxy-4-oxo-4-phenylbutanoate Methyl 3-(p-bromophenyl)amino-2,2-dimethoxy-4-oxo-4-phenylbutanoate
Wiley ID 1378260