For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Histidin-2-oic acid, N-benzoyl-, diethyl(ester)

View entire compound with spectra: 1 NMR

Histidin-2-oic acid, N-benzoyl-, diethyl(ester)
SpectraBase Compound ID Ct4MZw4TWb0
InChI InChI=1S/C18H21N3O5/c1-3-25-17(23)14(21-16(22)12-8-6-5-7-9-12)10-13-11-19-15(20-13)18(24)26-4-2/h5-9,11,14H,3-4,10H2,1-2H3,(H,19,20)(H,21,22)
InChIKey CCEVDJRWRHVWJX-UHFFFAOYSA-N
Mol Weight 359.38 g/mol
Molecular Formula C18H21N3O5
Exact Mass 359.148121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ICgzScJmgAU
Name Histidin-2-oic acid, N-benzoyl-, diethyl(ester)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.148120783 u
Formula C18H21N3O5
InChI InChI=1S/C18H21N3O5/c1-3-25-17(23)14(21-16(22)12-8-6-5-7-9-12)10-13-11-19-15(20-13)18(24)26-4-2/h5-9,11,14H,3-4,10H2,1-2H3,(H,19,20)(H,21,22)
InChIKey CCEVDJRWRHVWJX-UHFFFAOYSA-N
Molecular Weight 359.382 g/mol
SMILES C1(=CN=C(N1)C(=O)OCC)CC(NC(=O)C1=CC=CC=C1)C(OCC)=O