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methyl 1-[({3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)methyl]-1H-pyrazole-3-carboxylate

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methyl 1-[({3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)methyl]-1H-pyrazole-3-carboxylate
SpectraBase Compound ID K8Dlx1Zf4Xu
InChI InChI=1S/C22H24N6O3S/c1-15-13-16(2)28(24-15)11-6-10-27-20(29)17-7-4-5-8-18(17)23-22(27)32-14-26-12-9-19(25-26)21(30)31-3/h4-5,7-9,12-13H,6,10-11,14H2,1-3H3
InChIKey DXISXJPEWNHTMD-UHFFFAOYSA-N
Mol Weight 452.53 g/mol
Molecular Formula C22H24N6O3S
Exact Mass 452.16306 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EQLFq4Dhjbo
Name methyl 1-[({3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)methyl]-1H-pyrazole-3-carboxylate
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/C22H24N6O3S/c1-15-13-16(2)28(24-15)11-6-10-27-20(29)17-7-4-5-8-18(17)23-22(27)32-14-26-12-9-19(25-26)21(30)31-3/h4-5,7-9,12-13H,6,10-11,14H2,1-3H3
InChIKey DXISXJPEWNHTMD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30911
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: 1728048; SBI_ID: SBI-030915
Temperature 318 °C