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

*Links on SpectraBase are not permalinks.

5-Pyrimidinecarboxylic acid, 4-(2-bromophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 2-ethoxyethyl ester

View entire compound with spectra: 2 NMR

5-Pyrimidinecarboxylic acid, 4-(2-bromophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 2-ethoxyethyl ester
SpectraBase Compound ID 9WRT4xK3CuG
InChI InChI=1S/C16H19BrN2O4/c1-3-22-8-9-23-15(20)13-10(2)18-16(21)19-14(13)11-6-4-5-7-12(11)17/h4-7,14H,3,8-9H2,1-2H3,(H2,18,19,21)
InChIKey AKEGIBOVECMXSC-UHFFFAOYSA-N
Mol Weight 383.24 g/mol
Molecular Formula C16H19BrN2O4
Exact Mass 382.05282 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 9FVkDJheLG2
Name 5-Pyrimidinecarboxylic acid, 4-(2-bromophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 2-ethoxyethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.052820096 u
Formula C16H19BrN2O4
InChI InChI=1S/C16H19BrN2O4/c1-3-22-8-9-23-15(20)13-10(2)18-16(21)19-14(13)11-6-4-5-7-12(11)17/h4-7,14H,3,8-9H2,1-2H3,(H2,18,19,21)
InChIKey AKEGIBOVECMXSC-UHFFFAOYSA-N
Molecular Weight 383.242 g/mol
SMILES N1C(NC(=C(C1C=1C(Br)=CC=CC1)C(=O)OCCOCC)C)=O