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2-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

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2-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
SpectraBase Compound ID Bj884rBOwXK
InChI InChI=1S/C18H12F5N7S/c1-7-3-10(18(21,22)23)25-17-12(7)13-14(31-17)16-26-11(28-30(16)6-24-13)5-29-8(2)4-9(27-29)15(19)20/h3-4,6,15H,5H2,1-2H3
InChIKey PZBAWEUBJCKBBS-UHFFFAOYSA-N
Mol Weight 453.4 g/mol
Molecular Formula C18H12F5N7S
Exact Mass 453.079505 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 79J3tNw3hLC
Name 2-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
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/C18H12F5N7S/c1-7-3-10(18(21,22)23)25-17-12(7)13-14(31-17)16-26-11(28-30(16)6-24-13)5-29-8(2)4-9(27-29)15(19)20/h3-4,6,15H,5H2,1-2H3
InChIKey PZBAWEUBJCKBBS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32766
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: 1911517; SBI_ID: SBI-032770
Temperature 318 °C