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pyrazolo[1,5-a]pyrimidin-7(4H)-one, 3-(3-chlorophenyl)-2-methyl-5-[[(4-methylphenyl)thio]methyl]-
SpectraBase Compound ID 3MqHsQhtL2j
InChI InChI=1S/C21H18ClN3OS/c1-13-6-8-18(9-7-13)27-12-17-11-19(26)25-21(23-17)20(14(2)24-25)15-4-3-5-16(22)10-15/h3-11,23H,12H2,1-2H3
InChIKey HRRCLORIQFDPJR-UHFFFAOYSA-N
Mol Weight 395.91 g/mol
Molecular Formula C21H18ClN3OS
Exact Mass 395.085911 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EZzP9eNxJXn
Name pyrazolo[1,5-a]pyrimidin-7(4H)-one, 3-(3-chlorophenyl)-2-methyl-5-[[(4-methylphenyl)thio]methyl]-
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/C21H18ClN3OS/c1-13-6-8-18(9-7-13)27-12-17-11-19(26)25-21(23-17)20(14(2)24-25)15-4-3-5-16(22)10-15/h3-11,23H,12H2,1-2H3
InChIKey HRRCLORIQFDPJR-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7919
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: F31287; Labnumber: VGU-S1059-0851