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3-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-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-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID DOjSmpnOtbq
InChI InChI=1S/C24H21ClF3N5OS/c25-19-20(22(34)31-23-15(12-29)14-9-5-2-6-10-17(14)35-23)32-33-18(24(26,27)28)11-16(30-21(19)33)13-7-3-1-4-8-13/h1,3-4,7-8,16,18,30H,2,5-6,9-11H2,(H,31,34)
InChIKey KIGFTAGJKTXBQX-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 SDMufrwXmt
Name 3-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-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/c25-19-20(22(34)31-23-15(12-29)14-9-5-2-6-10-17(14)35-23)32-33-18(24(26,27)28)11-16(30-21(19)33)13-7-3-1-4-8-13/h1,3-4,7-8,16,18,30H,2,5-6,9-11H2,(H,31,34)
InChIKey KIGFTAGJKTXBQX-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12338
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/9100311; UBI_ID: UBI-012341
Temperature 308 °C