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(7Z)-3-[chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7-{[5-(4-nitrophenyl)-2-furyl]methylene}-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID KNciI7C7Ahu
InChI InChI=1S/C22H10ClF4N5O3S/c23-22(26,27)20-28-29-21-31(20)30-19(15-7-3-12(24)9-16(15)25)18(36-21)10-14-6-8-17(35-14)11-1-4-13(5-2-11)32(33)34/h1-10H/b18-10-
InChIKey XABBUMPVZFRSFW-ZDLGFXPLSA-N
Mol Weight 535.86 g/mol
Molecular Formula C22H10ClF4N5O3S
Exact Mass 535.012901 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FnZLGT1U9z
Name (7Z)-3-[chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7-{[5-(4-nitrophenyl)-2-furyl]methylene}-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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/C22H10ClF4N5O3S/c23-22(26,27)20-28-29-21-31(20)30-19(15-7-3-12(24)9-16(15)25)18(36-21)10-14-6-8-17(35-14)11-1-4-13(5-2-11)32(33)34/h1-10H/b18-10-
InChIKey XABBUMPVZFRSFW-ZDLGFXPLSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11455
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: UZI/1263969; Labnumber: NIV1334; UZI_ID: UZI-011457
Synonyms 3-[chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7-{[5-(4-nitrophenyl)-2-furyl]methylene}-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Temperature 308 °C