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3-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

View entire compound with spectra: 1 NMR

3-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID DnnoCBPq9Wx
InChI InChI=1S/C24H21ClF3N5OS/c1-12-7-8-14-15(11-29)23(35-17(14)9-12)31-22(34)20-19(25)21-30-16(13-5-3-2-4-6-13)10-18(24(26,27)28)33(21)32-20/h2-6,12,16,18,30H,7-10H2,1H3,(H,31,34)
InChIKey XLYNOCUQHCNVHY-UHFFFAOYSA-N
Mol Weight 519.97 g/mol
Molecular Formula C24H21ClF3N5OS
Exact Mass 519.110744 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4ajcXEBxBXQ
Name 3-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
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/C24H21ClF3N5OS/c1-12-7-8-14-15(11-29)23(35-17(14)9-12)31-22(34)20-19(25)21-30-16(13-5-3-2-4-6-13)10-18(24(26,27)28)33(21)32-20/h2-6,12,16,18,30H,7-10H2,1H3,(H,31,34)
InChIKey XLYNOCUQHCNVHY-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12128
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: UZI/9100124; UBI_ID: UBI-012131
Temperature 313 °C