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2-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-7,9-dimethylpyrido[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}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
SpectraBase Compound ID DcsSMP8ITVZ
InChI InChI=1S/C18H13F4N7S/c1-7-3-8(2)24-18-12(7)13-14(30-18)17-25-11(27-29(17)6-23-13)5-28-10(16(21)22)4-9(26-28)15(19)20/h3-4,6,15-16H,5H2,1-2H3
InChIKey BTUUDHFWZNWOQE-UHFFFAOYSA-N
Mol Weight 435.4 g/mol
Molecular Formula C18H13F4N7S
Exact Mass 435.088927 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H4DDTLEC0TB
Name 2-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-7,9-dimethylpyrido[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/C18H13F4N7S/c1-7-3-8(2)24-18-12(7)13-14(30-18)17-25-11(27-29(17)6-23-13)5-28-10(16(21)22)4-9(26-28)15(19)20/h3-4,6,15-16H,5H2,1-2H3
InChIKey BTUUDHFWZNWOQE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32388
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: 1847638; SBI_ID: SBI-032392
Temperature 318 °C