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N-allyl-2-({3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)acetamide
SpectraBase Compound ID 7c2leBD511V
InChI InChI=1S/C21H25N5O2S/c1-4-10-22-19(27)14-29-21-23-18-9-6-5-8-17(18)20(28)25(21)11-7-12-26-16(3)13-15(2)24-26/h4-6,8-9,13H,1,7,10-12,14H2,2-3H3,(H,22,27)
InChIKey GZKXXTAIIOPGCL-UHFFFAOYSA-N
Mol Weight 411.52 g/mol
Molecular Formula C21H25N5O2S
Exact Mass 411.172896 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6RVI1YTz5vE
Name N-allyl-2-({3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)acetamide
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/C21H25N5O2S/c1-4-10-22-19(27)14-29-21-23-18-9-6-5-8-17(18)20(28)25(21)11-7-12-26-16(3)13-15(2)24-26/h4-6,8-9,13H,1,7,10-12,14H2,2-3H3,(H,22,27)
InChIKey GZKXXTAIIOPGCL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30920
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: 1728069; SBI_ID: SBI-030924
Temperature 308 °C