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

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N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID BD3D4u9VOxb
InChI InChI=1S/C22H24F2N6OS/c1-5-22(3,4)12-6-7-13-14(10-25)20(32-16(13)9-12)28-19(31)18-27-21-26-11(2)8-15(17(23)24)30(21)29-18/h8,12,17H,5-7,9H2,1-4H3,(H,28,31)
InChIKey LSAPOFWLVMXTTD-UHFFFAOYSA-N
Mol Weight 458.53 g/mol
Molecular Formula C22H24F2N6OS
Exact Mass 458.170037 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ei3O1rQdlM1
Name N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[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/C22H24F2N6OS/c1-5-22(3,4)12-6-7-13-14(10-25)20(32-16(13)9-12)28-19(31)18-27-21-26-11(2)8-15(17(23)24)30(21)29-18/h8,12,17H,5-7,9H2,1-4H3,(H,28,31)
InChIKey LSAPOFWLVMXTTD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1666
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: 9312324; UBI_ID: UBI-001667
Temperature 308 °C