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7-(difluoromethyl)-5-methyl-N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

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7-(difluoromethyl)-5-methyl-N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID B9pSEMJZVC1
InChI InChI=1S/C16H15F5N6O4/c1-7-2-11(12(17)18)26-15(22-7)24-13(25-26)14(28)23-8-3-9(27(29)30)5-10(4-8)31-6-16(19,20)21/h3-5,7,11-12H,2,6H2,1H3,(H,23,28)(H,22,24,25)
InChIKey VRWLIXFCBXMBLR-UHFFFAOYSA-N
Mol Weight 450.33 g/mol
Molecular Formula C16H15F5N6O4
Exact Mass 450.107494 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IKcGs9vXXLz
Name 7-(difluoromethyl)-5-methyl-N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-4,5,6,7-tetrahydro[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/C16H15F5N6O4/c1-7-2-11(12(17)18)26-15(22-7)24-13(25-26)14(28)23-8-3-9(27(29)30)5-10(4-8)31-6-16(19,20)21/h3-5,7,11-12H,2,6H2,1H3,(H,23,28)(H,22,24,25)
InChIKey VRWLIXFCBXMBLR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3907
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: 9317887; UBI_ID: UBI-003908
Temperature 308 °C