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N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

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N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SpectraBase Compound ID 9Z7mHX6ac9g
InChI InChI=1S/C27H25F2N5OS/c1-27(2,3)16-9-10-17-18(13-30)26(36-22(17)11-16)33-25(35)19-14-31-34-21(23(28)29)12-20(32-24(19)34)15-7-5-4-6-8-15/h4-8,12,14,16,23H,9-11H2,1-3H3,(H,33,35)
InChIKey VOMRAAQMCPCKQK-UHFFFAOYSA-N
Mol Weight 505.59 g/mol
Molecular Formula C27H25F2N5OS
Exact Mass 505.174788 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9gXBwaJBrkj
Name N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-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/C27H25F2N5OS/c1-27(2,3)16-9-10-17-18(13-30)26(36-22(17)11-16)33-25(35)19-14-31-34-21(23(28)29)12-20(32-24(19)34)15-7-5-4-6-8-15/h4-8,12,14,16,23H,9-11H2,1-3H3,(H,33,35)
InChIKey VOMRAAQMCPCKQK-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3078
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: 9314258; UBI_ID: UBI-003079
Temperature 313 °C