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2-{[3,5-bis(difluoromethyl)-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-{[3,5-bis(difluoromethyl)-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 K0S2lPqdPt2
InChI InChI=1S/C18H10F7N7S/c1-6-2-9(18(23,24)25)27-17-11(6)12-13(33-17)16-28-10(30-32(16)5-26-12)4-31-8(15(21)22)3-7(29-31)14(19)20/h2-3,5,14-15H,4H2,1H3
InChIKey GSGFIUWTNCVLFL-UHFFFAOYSA-N
Mol Weight 489.38 g/mol
Molecular Formula C18H10F7N7S
Exact Mass 489.060662 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GO16Vsl6Mm1
Name 2-{[3,5-bis(difluoromethyl)-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/C18H10F7N7S/c1-6-2-9(18(23,24)25)27-17-11(6)12-13(33-17)16-28-10(30-32(16)5-26-12)4-31-8(15(21)22)3-7(29-31)14(19)20/h2-3,5,14-15H,4H2,1H3
InChIKey GSGFIUWTNCVLFL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32740
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: 1911484; SBI_ID: SBI-032744
Temperature 318 °C