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[7-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](5-ethyl-2-thienyl)methanone

View entire compound with spectra: 1 NMR

[7-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](5-ethyl-2-thienyl)methanone
SpectraBase Compound ID 1KNEOFekrCN
InChI InChI=1S/C20H15F3N4O3S/c1-2-11-4-6-14(31-11)17(28)15-16(10-3-5-12-13(7-10)30-9-29-12)27-19(24-8-25-27)26-18(15)20(21,22)23/h3-8,16H,2,9H2,1H3,(H,24,25,26)
InChIKey HWADMVRLSJQECL-UHFFFAOYSA-N
Mol Weight 448.42 g/mol
Molecular Formula C20H15F3N4O3S
Exact Mass 448.081696 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8LFWFYAA5A3
Name [7-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](5-ethyl-2-thienyl)methanone
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/C20H15F3N4O3S/c1-2-11-4-6-14(31-11)17(28)15-16(10-3-5-12-13(7-10)30-9-29-12)27-19(24-8-25-27)26-18(15)20(21,22)23/h3-8,16H,2,9H2,1H3,(H,24,25,26)
InChIKey HWADMVRLSJQECL-UHFFFAOYSA-N
NMR Offset 17.912
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_34005
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: 1998264; SBI_ID: SBI-034009
Temperature 303 °C