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5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-1,6-dimethyl-2-oxo-4-(2-thienyl)-, 3-phenylpropyl ester

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5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-1,6-dimethyl-2-oxo-4-(2-thienyl)-, 3-phenylpropyl ester
SpectraBase Compound ID EMRJe9fqA4k
InChI InChI=1S/C20H22N2O3S/c1-14-17(18(16-11-7-13-26-16)21-20(24)22(14)2)19(23)25-12-6-10-15-8-4-3-5-9-15/h3-5,7-9,11,13,18H,6,10,12H2,1-2H3,(H,21,24)
InChIKey ARUQHALSEXXQIA-UHFFFAOYSA-N
Mol Weight 370.47 g/mol
Molecular Formula C20H22N2O3S
Exact Mass 370.135114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4CfTDc8LYqk
Name 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-1,6-dimethyl-2-oxo-4-(2-thienyl)-, 3-phenylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.135113747 u
Formula C20H22N2O3S
InChI InChI=1S/C20H22N2O3S/c1-14-17(18(16-11-7-13-26-16)21-20(24)22(14)2)19(23)25-12-6-10-15-8-4-3-5-9-15/h3-5,7-9,11,13,18H,6,10,12H2,1-2H3,(H,21,24)
InChIKey ARUQHALSEXXQIA-UHFFFAOYSA-N
Molecular Weight 370.467 g/mol
SMILES N1C(C(=C(N(C1=O)C)C)C(=O)OCCCC1=CC=CC=C1)C=1SC=CC1