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(7E)-3-[chloro(difluoro)methyl]-7-[(1-methyl-1H-pyrazol-3-yl)methylene]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

View entire compound with spectra: 1 NMR

(7E)-3-[chloro(difluoro)methyl]-7-[(1-methyl-1H-pyrazol-3-yl)methylene]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID JtdizN0d7V5
InChI InChI=1S/C16H11ClF2N6S/c1-24-8-7-11(22-24)9-12-13(10-5-3-2-4-6-10)23-25-14(16(17,18)19)20-21-15(25)26-12/h2-9H,1H3/b12-9+
InChIKey LXMFCYFYLMYZRF-FMIVXFBMSA-N
Mol Weight 392.82 g/mol
Molecular Formula C16H11ClF2N6S
Exact Mass 392.04225 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2xjQ8Bk8XOG
Name (7E)-3-[chloro(difluoro)methyl]-7-[(1-methyl-1H-pyrazol-3-yl)methylene]-6-phenyl-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/C16H11ClF2N6S/c1-24-8-7-11(22-24)9-12-13(10-5-3-2-4-6-10)23-25-14(16(17,18)19)20-21-15(25)26-12/h2-9H,1H3/b12-9+
InChIKey LXMFCYFYLMYZRF-FMIVXFBMSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21039
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/1063061; Labnumber: X-ALD720/18017; UZI_ID: UZI-021047
Synonyms 3-[chloro(difluoro)methyl]-7-[(1-methyl-1H-pyrazol-3-yl)methylene]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Temperature 308 °C