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3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-[(4-fluorobenzyl)sulfanyl]-4(3H)-quinazolinone
SpectraBase Compound ID F5eXRYruAt
InChI InChI=1S/C22H20ClFN4OS/c1-15-19(23)13-27(26-15)11-4-12-28-21(29)18-5-2-3-6-20(18)25-22(28)30-14-16-7-9-17(24)10-8-16/h2-3,5-10,13H,4,11-12,14H2,1H3
InChIKey SFDTWZXTNUFNTQ-UHFFFAOYSA-N
Mol Weight 442.94 g/mol
Molecular Formula C22H20ClFN4OS
Exact Mass 442.103038 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9tBfgpxMDk6
Name 3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-[(4-fluorobenzyl)sulfanyl]-4(3H)-quinazolinone
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/C22H20ClFN4OS/c1-15-19(23)13-27(26-15)11-4-12-28-21(29)18-5-2-3-6-20(18)25-22(28)30-14-16-7-9-17(24)10-8-16/h2-3,5-10,13H,4,11-12,14H2,1H3
InChIKey SFDTWZXTNUFNTQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30982
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: 1728182; SBI_ID: SBI-030986
Temperature 308 °C