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5-Phenyl-7-(trifluoromethyl)-1H,2H,3H-1,4-diazepine

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 2 MS (GC)

5-Phenyl-7-(trifluoromethyl)-1H,2H,3H-1,4-diazepine
SpectraBase Compound ID C0w9r8nb0gj
InChI InChI=1S/C12H11F3N2/c13-12(14,15)11-8-10(16-6-7-17-11)9-4-2-1-3-5-9/h1-5,8,17H,6-7H2
InChIKey MTGUYKMVEUMQQY-UHFFFAOYSA-N
Mol Weight 240.23 g/mol
Molecular Formula C12H11F3N2
Exact Mass 240.087433 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5HAIOB2cBk
Name 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
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/C12H11F3N2/c13-12(14,15)11-8-10(16-6-7-17-11)9-4-2-1-3-5-9/h1-5,8,17H,6-7H2
InChIKey MTGUYKMVEUMQQY-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_109
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: 600516REA14-1031; Labnumber: 600516REA14-1031; VK_ID: VK-000110
Temperature 315 °C