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

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5-Pyrimidinecarboxylic acid, 4-(2-ethoxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, cyclohexyl ester
SpectraBase Compound ID GC0J5znoi4d
InChI InChI=1S/C20H26N2O4/c1-3-25-16-12-8-7-11-15(16)18-17(13(2)21-20(24)22-18)19(23)26-14-9-5-4-6-10-14/h7-8,11-12,14,18H,3-6,9-10H2,1-2H3,(H2,21,22,24)
InChIKey GFFHKPQKQHJZPR-UHFFFAOYSA-N
Mol Weight 358.44 g/mol
Molecular Formula C20H26N2O4
Exact Mass 358.189257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1RxWd8MjCkh
Name 5-Pyrimidinecarboxylic acid, 4-(2-ethoxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, cyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.189257321 u
Formula C20H26N2O4
InChI InChI=1S/C20H26N2O4/c1-3-25-16-12-8-7-11-15(16)18-17(13(2)21-20(24)22-18)19(23)26-14-9-5-4-6-10-14/h7-8,11-12,14,18H,3-6,9-10H2,1-2H3,(H2,21,22,24)
InChIKey GFFHKPQKQHJZPR-UHFFFAOYSA-N
Molecular Weight 358.438 g/mol
SMILES N1C(NC(=C(C1C=1C(OCC)=CC=CC1)C(OC1CCCCC1)=O)C)=O