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

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

5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
SpectraBase Compound ID BL5Qbbpn1Tw
InChI InChI=1S/C12H10ClF3N2/c13-9-3-1-8(2-4-9)10-7-11(12(14,15)16)18-6-5-17-10/h1-4,7,18H,5-6H2
InChIKey CYXMAITUYBZRHY-UHFFFAOYSA-N
Mol Weight 274.67 g/mol
Molecular Formula C12H10ClF3N2
Exact Mass 274.048461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jz6rUi5ocRq
Name 5-(4-chlorophenyl)-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/C12H10ClF3N2/c13-9-3-1-8(2-4-9)10-7-11(12(14,15)16)18-6-5-17-10/h1-4,7,18H,5-6H2
InChIKey CYXMAITUYBZRHY-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_11446
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: 801923; Labnumber: REA14-1035; VK_ID: VK-011451
Temperature 315 °C