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_id
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1O8Dmib39xe
spectrumID
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1O8Dmib39xe
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analyticalTechnique
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1H NMR
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1H Nuclear Magnetic Resonance (NMR) Spectrum
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N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SpectraBase Compound ID 9gsDT4Oe7SD
InChI InChI=1S/C28H27F2N5OS/c1-4-28(2,3)17-10-11-18-19(14-31)27(37-23(18)12-17)34-26(36)20-15-32-35-22(24(29)30)13-21(33-25(20)35)16-8-6-5-7-9-16/h5-9,13,15,17,24H,4,10-12H2,1-3H3,(H,34,36)
InChIKey PHMNXYQNYZNWDC-UHFFFAOYSA-N
Mol Weight 519.61 g/mol
Molecular Formula C28H27F2N5OS
Exact Mass 519.190438 g/mol
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1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1O8Dmib39xe
Name N-(3-cyano-6-tert-pentyl-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 © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H27F2N5OS/c1-4-28(2,3)17-10-11-18-19(14-31)27(37-23(18)12-17)34-26(36)20-15-32-35-22(24(29)30)13-21(33-25(20)35)16-8-6-5-7-9-16/h5-9,13,15,17,24H,4,10-12H2,1-3H3,(H,34,36)
InChIKey PHMNXYQNYZNWDC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1645
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONITRIL
Source File Reference VendorID: 9310721; UBI_ID: UBI-001646
Temperature 308 °C
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