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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]-, 1-methylethyl ester

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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]-, 1-methylethyl ester
SpectraBase Compound ID 3pQgxFFiBOp
InChI InChI=1S/C22H22N4O3S/c1-13(2)29-21(27)18-14(3)23-22(28)24-20(18)16-12-26(15-8-5-4-6-9-15)25-19(16)17-10-7-11-30-17/h4-13,20H,1-3H3,(H2,23,24,28)
InChIKey CJTPQOPVVDDZST-UHFFFAOYSA-N
Mol Weight 422.5 g/mol
Molecular Formula C22H22N4O3S
Exact Mass 422.141262 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EiwBNgKriBR
Name 5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-, 1-methylethyl 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/C22H22N4O3S/c1-13(2)29-21(27)18-14(3)23-22(28)24-20(18)16-12-26(15-8-5-4-6-9-15)25-19(16)17-10-7-11-30-17/h4-13,20H,1-3H3,(H2,23,24,28)
InChIKey CJTPQOPVVDDZST-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2858
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/11248401