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9-(difluoromethyl)-7-methyl-2-[(5-phenyl-2H-tetraazol-2-yl)methyl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
SpectraBase Compound ID FgfUifln65g
InChI InChI=1S/C20H13F2N9S/c1-10-7-12(17(21)22)24-20-14(10)15-16(32-20)19-25-13(27-30(19)9-23-15)8-31-28-18(26-29-31)11-5-3-2-4-6-11/h2-7,9,17H,8H2,1H3
InChIKey JKKISHHLUHQZQO-UHFFFAOYSA-N
Mol Weight 449.44 g/mol
Molecular Formula C20H13F2N9S
Exact Mass 449.098269 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JhKD0iDQbYF
Name 9-(difluoromethyl)-7-methyl-2-[(5-phenyl-2H-tetraazol-2-yl)methyl]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/C20H13F2N9S/c1-10-7-12(17(21)22)24-20-14(10)15-16(32-20)19-25-13(27-30(19)9-23-15)8-31-28-18(26-29-31)11-5-3-2-4-6-11/h2-7,9,17H,8H2,1H3
InChIKey JKKISHHLUHQZQO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32962
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: 1911812; SBI_ID: SBI-032966
Temperature 318 °C