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N-[3-(aminocarbonyl)-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-(aminocarbonyl)-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 3JRSE6jjc4p
InChI InChI=1S/C17H16F2N6O2S/c1-7-6-9(12(18)19)25-17(21-7)22-14(24-25)15(27)23-16-11(13(20)26)8-4-2-3-5-10(8)28-16/h6,12H,2-5H2,1H3,(H2,20,26)(H,23,27)
InChIKey DZAHCWWLRZXKBK-UHFFFAOYSA-N
Mol Weight 406.41 g/mol
Molecular Formula C17H16F2N6O2S
Exact Mass 406.102351 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GDEjsomEGFK
Name N-[3-(aminocarbonyl)-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/C17H16F2N6O2S/c1-7-6-9(12(18)19)25-17(21-7)22-14(24-25)15(27)23-16-11(13(20)26)8-4-2-3-5-10(8)28-16/h6,12H,2-5H2,1H3,(H2,20,26)(H,23,27)
InChIKey DZAHCWWLRZXKBK-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2332
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: 9312718; UBI_ID: UBI-002333
Temperature 308 °C