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2-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

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2-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
SpectraBase Compound ID LuowMXKloAY
InChI InChI=1S/C18H14ClF2N7S/c1-7-4-10(16(20)21)23-18-12(7)14-15(29-18)17-24-11(26-28(17)6-22-14)5-27-9(3)13(19)8(2)25-27/h4,6,16H,5H2,1-3H3
InChIKey FCGJAPAJJZHUJX-UHFFFAOYSA-N
Mol Weight 433.87 g/mol
Molecular Formula C18H14ClF2N7S
Exact Mass 433.068799 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LQsKliR0jmC
Name 2-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-9-(difluoromethyl)-7-methylpyrido[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/C18H14ClF2N7S/c1-7-4-10(16(20)21)23-18-12(7)14-15(29-18)17-24-11(26-28(17)6-22-14)5-27-9(3)13(19)8(2)25-27/h4,6,16H,5H2,1-3H3
InChIKey FCGJAPAJJZHUJX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33257
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: 1912290; SBI_ID: SBI-033261
Temperature 318 °C