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

View entire compound with spectra: 1 NMR

N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-chloro-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID A4J4ha5YVm3
InChI InChI=1S/C27H27ClF3N5OS/c1-26(2,3)15-9-10-16-17(13-32)25(38-19(16)11-15)34-24(37)22-21(28)23-33-18(14-7-5-4-6-8-14)12-20(27(29,30)31)36(23)35-22/h4-8,15,18,20,33H,9-12H2,1-3H3,(H,34,37)
InChIKey GYRVXMBXMNBEDL-UHFFFAOYSA-N
Mol Weight 562.06 g/mol
Molecular Formula C27H27ClF3N5OS
Exact Mass 561.157694 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9u5b06KvO6S
Name N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-chloro-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/C27H27ClF3N5OS/c1-26(2,3)15-9-10-16-17(13-32)25(38-19(16)11-15)34-24(37)22-21(28)23-33-18(14-7-5-4-6-8-14)12-20(27(29,30)31)36(23)35-22/h4-8,15,18,20,33H,9-12H2,1-3H3,(H,34,37)
InChIKey GYRVXMBXMNBEDL-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12315
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/9100240; UBI_ID: UBI-012318
Temperature 308 °C