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

*Links on SpectraBase are not permalinks.

Benzenepropanoic acid, .beta.-(2-amino-2-oxoethyl)-, 2-pyridinylmethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Benzenepropanoic acid, .beta.-(2-amino-2-oxoethyl)-, 2-pyridinylmethyl ester
SpectraBase Compound ID 4oGrYLrpMwe
InChI InChI=1S/C17H18N2O3/c18-16(20)10-14(13-6-2-1-3-7-13)11-17(21)22-12-15-8-4-5-9-19-15/h1-9,14H,10-12H2,(H2,18,20)
InChIKey PONOHDGIZVQHNO-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C17H18N2O3
Exact Mass 298.131742 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 GyafxBDxwcZ
Name Benzenepropanoic acid, .beta.-(2-amino-2-oxoethyl)-, 2-pyridinylmethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.131742445 u
Formula C17H18N2O3
InChI InChI=1S/C17H18N2O3/c18-16(20)10-14(13-6-2-1-3-7-13)11-17(21)22-12-15-8-4-5-9-19-15/h1-9,14H,10-12H2,(H2,18,20)
InChIKey PONOHDGIZVQHNO-UHFFFAOYSA-N
Molecular Weight 298.342 g/mol
SMILES C(CC(=O)OCC=1N=CC=CC1)(CC(=O)N)C=1C=CC=CC1