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

*Links on SpectraBase are not permalinks.

5-Pyrimidinecarboxylic acid, 4-[[(1,3-benzodioxol-5-ylmethyl)(3-fluorobenzoyl)amino]methyl]-1,2,3,6-tetrahydro-6-(4-methoxyphenyl)-2-oxo-, ethyl ester

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

5-Pyrimidinecarboxylic acid, 4-[[(1,3-benzodioxol-5-ylmethyl)(3-fluorobenzoyl)amino]methyl]-1,2,3,6-tetrahydro-6-(4-methoxyphenyl)-2-oxo-, ethyl ester
SpectraBase Compound ID 9oF0UGAyZG4
InChI InChI=1S/C30H28FN3O7/c1-3-39-29(36)26-23(32-30(37)33-27(26)19-8-10-22(38-2)11-9-19)16-34(28(35)20-5-4-6-21(31)14-20)15-18-7-12-24-25(13-18)41-17-40-24/h4-14,27H,3,15-17H2,1-2H3,(H2,32,33,37)
InChIKey HHDWVYFZCJQLQO-UHFFFAOYSA-N
Mol Weight 561.57 g/mol
Molecular Formula C30H28FN3O7
Exact Mass 561.191128 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 43EDrTAXjxh
Name 5-Pyrimidinecarboxylic acid, 4-[[(1,3-benzodioxol-5-ylmethyl)(3-fluorobenzoyl)amino]methyl]-1,2,3,6-tetrahydro-6-(4-methoxyphenyl)-2-oxo-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 561.191128410 u
Formula C30H28FN3O7
InChI InChI=1S/C30H28FN3O7/c1-3-39-29(36)26-23(32-30(37)33-27(26)19-8-10-22(38-2)11-9-19)16-34(28(35)20-5-4-6-21(31)14-20)15-18-7-12-24-25(13-18)41-17-40-24/h4-14,27H,3,15-17H2,1-2H3,(H2,32,33,37)
InChIKey HHDWVYFZCJQLQO-UHFFFAOYSA-N
Molecular Weight 561.566 g/mol
SMILES C1=2C=C(C=CC2OCO1)CN(CC1=C(C(NC(N1)=O)C=1C=CC(=CC1)OC)C(OCC)=O)C(=O)C1=CC=CC(=C1)F