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N~2~,N~4~-bis(4-fluorophenyl)-6-hexahydro-1H-azepin-1-yl-1,3,5-triazine-2,4-diamine
SpectraBase Compound ID 2njd53xXZBT
InChI InChI=1S/C21H22F2N6/c22-15-5-9-17(10-6-15)24-19-26-20(25-18-11-7-16(23)8-12-18)28-21(27-19)29-13-3-1-2-4-14-29/h5-12H,1-4,13-14H2,(H2,24,25,26,27,28)
InChIKey XAURXYOCPCAIRD-UHFFFAOYSA-N
Mol Weight 396.45 g/mol
Molecular Formula C21H22F2N6
Exact Mass 396.187401 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K0luGrT7I48
Name N~2~,N~4~-bis(4-fluorophenyl)-6-hexahydro-1H-azepin-1-yl-1,3,5-triazine-2,4-diamine
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/C21H22F2N6/c22-15-5-9-17(10-6-15)24-19-26-20(25-18-11-7-16(23)8-12-18)28-21(27-19)29-13-3-1-2-4-14-29/h5-12H,1-4,13-14H2,(H2,24,25,26,27,28)
InChIKey XAURXYOCPCAIRD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7392
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: 128230; Labnumber: VGU-15242; VK_ID: VK-007396
Synonyms N-[4-(4-fluoroanilino)-6-hexahydro-1H-azepin-1-yl-1,3,5-triazin-2-yl]-N-(4-fluorophenyl)amine
Temperature 318 °C