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3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-[(4-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
SpectraBase Compound ID FkSL94E5lSF
InChI InChI=1S/C23H23ClN4OS/c1-16-8-10-18(11-9-16)15-30-23-25-21-7-4-3-6-19(21)22(29)28(23)13-5-12-27-14-20(24)17(2)26-27/h3-4,6-11,14H,5,12-13,15H2,1-2H3
InChIKey WHVUCLUDGUPVSU-UHFFFAOYSA-N
Mol Weight 438.98 g/mol
Molecular Formula C23H23ClN4OS
Exact Mass 438.12811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CwdY1LDwkSo
Name 3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-[(4-methylbenzyl)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/C23H23ClN4OS/c1-16-8-10-18(11-9-16)15-30-23-25-21-7-4-3-6-19(21)22(29)28(23)13-5-12-27-14-20(24)17(2)26-27/h3-4,6-11,14H,5,12-13,15H2,1-2H3
InChIKey WHVUCLUDGUPVSU-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30896
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: 1728027; SBI_ID: SBI-030900
Temperature 306 °C