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2-({3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)-N-(2-methylphenyl)acetamide
SpectraBase Compound ID murnX66j5A
InChI InChI=1S/C25H27N5O2S/c1-17-9-4-6-11-21(17)26-23(31)16-33-25-27-22-12-7-5-10-20(22)24(32)29(25)13-8-14-30-19(3)15-18(2)28-30/h4-7,9-12,15H,8,13-14,16H2,1-3H3,(H,26,31)
InChIKey BGMLLPDVSADAKU-UHFFFAOYSA-N
Mol Weight 461.58 g/mol
Molecular Formula C25H27N5O2S
Exact Mass 461.188546 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ANzgH7b9Urv
Name 2-({3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)-N-(2-methylphenyl)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/C25H27N5O2S/c1-17-9-4-6-11-21(17)26-23(31)16-33-25-27-22-12-7-5-10-20(22)24(32)29(25)13-8-14-30-19(3)15-18(2)28-30/h4-7,9-12,15H,8,13-14,16H2,1-3H3,(H,26,31)
InChIKey BGMLLPDVSADAKU-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30985
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: 1728186; SBI_ID: SBI-030989
Temperature 306 °C