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2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)-N-(2,3-dimethylphenyl)acetamide
SpectraBase Compound ID 5YhxhtiKIEB
InChI InChI=1S/C23H22ClN5O2S/c1-15-6-5-9-19(16(15)2)26-21(30)14-32-23-27-20-8-4-3-7-18(20)22(31)29(23)11-10-28-13-17(24)12-25-28/h3-9,12-13H,10-11,14H2,1-2H3,(H,26,30)
InChIKey NMFFXKCFWFRVQS-UHFFFAOYSA-N
Mol Weight 467.98 g/mol
Molecular Formula C23H22ClN5O2S
Exact Mass 467.118274 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6L5p0erBZqo
Name 2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)-N-(2,3-dimethylphenyl)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/C23H22ClN5O2S/c1-15-6-5-9-19(16(15)2)26-21(30)14-32-23-27-20-8-4-3-7-18(20)22(31)29(23)11-10-28-13-17(24)12-25-28/h3-9,12-13H,10-11,14H2,1-2H3,(H,26,30)
InChIKey NMFFXKCFWFRVQS-UHFFFAOYSA-N
NMR Offset 17.9112
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Origin 1H_SBI_36227_30734
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: 1724646; SBI_ID: SBI-030738
Temperature 303 °C