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3,3-dimethyl-11-(4-nitrophenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID HT1BOMJOC9S
InChI InChI=1S/C23H20F3N3O4/c1-22(2)11-16-19(18(30)12-22)20(13-7-9-14(10-8-13)29(32)33)28(21(31)23(24,25)26)17-6-4-3-5-15(17)27-16/h3-10,20,27H,11-12H2,1-2H3
InChIKey SRDOTCPLHRZRGE-UHFFFAOYSA-N
Mol Weight 459.43 g/mol
Molecular Formula C23H20F3N3O4
Exact Mass 459.140591 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CuTIhuHMHYP
Name 3,3-dimethyl-11-(4-nitrophenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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/C23H20F3N3O4/c1-22(2)11-16-19(18(30)12-22)20(13-7-9-14(10-8-13)29(32)33)28(21(31)23(24,25)26)17-6-4-3-5-15(17)27-16/h3-10,20,27H,11-12H2,1-2H3
InChIKey SRDOTCPLHRZRGE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13244
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: 102448; Labnumber: VOR8-8365; VK_ID: VK-013249
Temperature 318 °C