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

*Links on SpectraBase are not permalinks.
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-[2-(phenylmethoxy)phenyl]-, 2-propenyl ester
SpectraBase Compound ID H10fqI6FCEt
InChI InChI=1S/C22H22N2O4/c1-3-13-27-21(25)19-15(2)23-22(26)24-20(19)17-11-7-8-12-18(17)28-14-16-9-5-4-6-10-16/h3-12,20H,1,13-14H2,2H3,(H2,23,24,26)
InChIKey VYRXHGMRFYWXRX-UHFFFAOYSA-N
Mol Weight 378.43 g/mol
Molecular Formula C22H22N2O4
Exact Mass 378.157957 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 FsWqT5BwMWo
Name 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-[2-(phenylmethoxy)phenyl]-, 2-propenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.157957192 u
Formula C22H22N2O4
InChI InChI=1S/C22H22N2O4/c1-3-13-27-21(25)19-15(2)23-22(26)24-20(19)17-11-7-8-12-18(17)28-14-16-9-5-4-6-10-16/h3-12,20H,1,13-14H2,2H3,(H2,23,24,26)
InChIKey VYRXHGMRFYWXRX-UHFFFAOYSA-N
Molecular Weight 378.428 g/mol
SMILES N1C(NC(=C(C1C=1C(OCC2=CC=CC=C2)=CC=CC1)C(=O)OCC=C)C)=O