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3-[(2-bromobenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid

View entire compound with spectra: 1 MS (GC)

3-[(2-bromobenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
SpectraBase Compound ID 2zfoGVAHgfP
InChI InChI=1S/C17H16BrNO4/c1-23-12-8-6-11(7-9-12)15(10-16(20)21)19-17(22)13-4-2-3-5-14(13)18/h2-9,15H,10H2,1H3,(H,19,22)(H,20,21)
InChIKey HTZYJYDKNMXLSZ-UHFFFAOYSA-N
Mol Weight 378.22 g/mol
Molecular Formula C17H16BrNO4
Exact Mass 377.026271 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67wV8EpIZWP
Name 3-[(2-bromobenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
Alternate Name(s) 3-[(2-bromophenyl)carbonylamino]-3-(4-methoxyphenyl)propanoic acid 3-[[(2-bromophenyl)-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16BrNO4
InChI InChI=1S/C17H16BrNO4/c1-23-12-8-6-11(7-9-12)15(10-16(20)21)19-17(22)13-4-2-3-5-14(13)18/h2-9,15H,10H2,1H3,(H,19,22)(H,20,21)
InChIKey HTZYJYDKNMXLSZ-UHFFFAOYSA-N
Molecular Weight 378.222 g/mol
SMILES N(C(c1c(Br)cccc1)=O)C(CC(=O)O)c1ccc(OC)cc1
SPLASH splash10-000x-2900000000-f9bdf95f8a80d32ec965
Wiley ID 1443151