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1-(4,6-Bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazin-2-yl)azepane

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1-(4,6-Bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazin-2-yl)azepane
SpectraBase Compound ID LotTVDcKEmf
InChI InChI=1S/C17H12F18N4/c18-12(19,20)10(13(21,22)23,14(24,25)26)7-36-8(38-9(37-7)39-5-3-1-2-4-6-39)11(15(27,28)29,16(30,31)32)17(33,34)35/h1-6H2
InChIKey PVSWIGMWTJVBGS-UHFFFAOYSA-N
Mol Weight 614.28 g/mol
Molecular Formula C17H12F18N4
Exact Mass 614.077453 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8LI8IE8OYlZ
Name 1H-azepine, 1-[4,6-bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazin-2-yl]hexahydro-
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/C17H12F18N4/c18-12(19,20)10(13(21,22)23,14(24,25)26)7-36-8(38-9(37-7)39-5-3-1-2-4-6-39)11(15(27,28)29,16(30,31)32)17(33,34)35/h1-6H2
InChIKey PVSWIGMWTJVBGS-UHFFFAOYSA-N
NMR Offset 15.1248
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_8516_5543
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: ZI/3123831; IOH_ID: IOH-012546
Temperature 313 °C