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5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-, ethyl ester
SpectraBase Compound ID 3oV322Twf88
InChI InChI=1S/C21H20N4O3S/c1-3-28-20(26)17-13(2)22-21(27)23-19(17)15-12-25(14-8-5-4-6-9-14)24-18(15)16-10-7-11-29-16/h4-12,19H,3H2,1-2H3,(H2,22,23,27)
InChIKey CVDYFIAXWFUOFN-UHFFFAOYSA-N
Mol Weight 408.48 g/mol
Molecular Formula C21H20N4O3S
Exact Mass 408.125612 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2YePgEpvp9s
Name 5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-, ethyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H20N4O3S/c1-3-28-20(26)17-13(2)22-21(27)23-19(17)15-12-25(14-8-5-4-6-9-14)24-18(15)16-10-7-11-29-16/h4-12,19H,3H2,1-2H3,(H2,22,23,27)
InChIKey CVDYFIAXWFUOFN-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2022
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11268522