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Tryptophan, N(.alpha.)-[4-nitrobenzoyl]-

View entire compound with spectra: 1 NMR

Tryptophan, N(.alpha.)-[4-nitrobenzoyl]-
SpectraBase Compound ID BiGuhBzgwDY
InChI InChI=1S/C18H15N3O5/c22-17(11-5-7-13(8-6-11)21(25)26)20-16(18(23)24)9-12-10-19-15-4-2-1-3-14(12)15/h1-8,10,16,19H,9H2,(H,20,22)(H,23,24)
InChIKey CLGVCJFAHFIZIR-UHFFFAOYSA-N
Mol Weight 353.33 g/mol
Molecular Formula C18H15N3O5
Exact Mass 353.101171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HvrZkcJJqxF
Name Tryptophan, N(.alpha.)-[4-nitrobenzoyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.101170590 u
Formula C18H15N3O5
InChI InChI=1S/C18H15N3O5/c22-17(11-5-7-13(8-6-11)21(25)26)20-16(18(23)24)9-12-10-19-15-4-2-1-3-14(12)15/h1-8,10,16,19H,9H2,(H,20,22)(H,23,24)
InChIKey CLGVCJFAHFIZIR-UHFFFAOYSA-N
Molecular Weight 353.334 g/mol
SMILES C12=C(C=CC=C2)C(CC(C(O)=O)NC(=O)C=2C=CC(=CC2)N(=O)=O)=CN1