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N-[(5-nitroindol-3-yl)glyoxyloyl]-3-phenylalanine

View entire compound with spectra: 3 NMR, and 1 FTIR

N-[(5-nitroindol-3-yl)glyoxyloyl]-3-phenylalanine
SpectraBase Compound ID 3j8tHm7k1ro
InChI InChI=1S/C19H15N3O6/c23-17(14-10-20-15-7-6-12(22(27)28)9-13(14)15)18(24)21-16(19(25)26)8-11-4-2-1-3-5-11/h1-7,9-10,16,20H,8H2,(H,21,24)(H,25,26)
InChIKey KJLOBSPACNBEAV-UHFFFAOYSA-N
Mol Weight 381.34 g/mol
Molecular Formula C19H15N3O6
Exact Mass 381.096085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JJGUynBJ6OZ
Name N-[(5-Nitroindol-3-yl)glyoxyloyl]-3-phenylalanine
Comments Computed using HOSE algorithm
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Exact Mass 381.096085209 u
Formula C19H15N3O6
InChI InChI=1S/C19H15N3O6/c23-17(14-10-20-15-7-6-12(22(27)28)9-13(14)15)18(24)21-16(19(25)26)8-11-4-2-1-3-5-11/h1-7,9-10,16,20H,8H2,(H,21,24)(H,25,26)
InChIKey KJLOBSPACNBEAV-UHFFFAOYSA-N
Molecular Weight 381.344 g/mol
SMILES N1C2=C(C(C(C(NC(C(O)=O)CC=3C=CC=CC3)=O)=O)=C1)C=C(C=C2)N(=O)=O