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alanine, N-[(2E,4E)-2-[(3-bromobenzoyl)amino]-1-oxo-5-phenyl-2,4-pentadienyl]-

View entire compound with spectra: 2 NMR

alanine, N-[(2E,4E)-2-[(3-bromobenzoyl)amino]-1-oxo-5-phenyl-2,4-pentadienyl]-
SpectraBase Compound ID 1wcfesucnKp
InChI InChI=1S/C21H19BrN2O4/c1-14(21(27)28)23-20(26)18(12-5-9-15-7-3-2-4-8-15)24-19(25)16-10-6-11-17(22)13-16/h2-14H,1H3,(H,23,26)(H,24,25)(H,27,28)/b9-5+,18-12+
InChIKey DCONTFWMLQGMQY-ASQNEQQHSA-N
Mol Weight 443.3 g/mol
Molecular Formula C21H19BrN2O4
Exact Mass 442.05282 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2inGDgusnMX
Name Alanine, N-[(2E,4E)-2-[(3-bromobenzoyl)amino]-1-oxo-5-phenyl-2,4-pentadienyl]-
Comments Computed using HOSE algorithm
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Exact Mass 442.052820096 u
Formula C21H19BrN2O4
InChI InChI=1S/C21H19BrN2O4/c1-14(21(27)28)23-20(26)18(12-5-9-15-7-3-2-4-8-15)24-19(25)16-10-6-11-17(22)13-16/h2-14H,1H3,(H,23,26)(H,24,25)(H,27,28)/b9-5+,18-12+
InChIKey DCONTFWMLQGMQY-ASQNEQQHSA-N
Molecular Weight 443.297 g/mol
SMILES N(C(C=1C=C(Br)C=CC1)=O)\C(C(NC(C(=O)O)C)=O)=C\C=C\C1=CC=CC=C1