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3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-[(2,5-dimethylbenzyl)sulfanyl]-4(3H)-quinazolinone
SpectraBase Compound ID ETTAA1kk7JN
InChI InChI=1S/C24H25ClN4OS/c1-16-9-10-17(2)19(13-16)15-31-24-26-22-8-5-4-7-20(22)23(30)29(24)12-6-11-28-14-21(25)18(3)27-28/h4-5,7-10,13-14H,6,11-12,15H2,1-3H3
InChIKey MCVKOGLCOQMQQA-UHFFFAOYSA-N
Mol Weight 453.0 g/mol
Molecular Formula C24H25ClN4OS
Exact Mass 452.14376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FOH7YWftJ9R
Name 3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-[(2,5-dimethylbenzyl)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/C24H25ClN4OS/c1-16-9-10-17(2)19(13-16)15-31-24-26-22-8-5-4-7-20(22)23(30)29(24)12-6-11-28-14-21(25)18(3)27-28/h4-5,7-10,13-14H,6,11-12,15H2,1-3H3
InChIKey MCVKOGLCOQMQQA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30878
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: 1727987; SBI_ID: SBI-030882
Temperature 318 °C