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3,3-dimethyl-11-[(E)-2-phenylethenyl]-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID A9wd1At33wG
InChI InChI=1S/C25H23F3N2O2/c1-24(2)14-18-22(21(31)15-24)20(13-12-16-8-4-3-5-9-16)30(23(32)25(26,27)28)19-11-7-6-10-17(19)29-18/h3-13,20,29H,14-15H2,1-2H3/b13-12+
InChIKey FOHXMBOUDUWYPM-OUKQBFOZSA-N
Mol Weight 440.47 g/mol
Molecular Formula C25H23F3N2O2
Exact Mass 440.171162 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 504I4asmaAn
Name 3,3-dimethyl-11-[(E)-2-phenylethenyl]-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/C25H23F3N2O2/c1-24(2)14-18-22(21(31)15-24)20(13-12-16-8-4-3-5-9-16)30(23(32)25(26,27)28)19-11-7-6-10-17(19)29-18/h3-13,20,29H,14-15H2,1-2H3/b13-12+
InChIKey FOHXMBOUDUWYPM-OUKQBFOZSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15159
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: UZI/6185796; UBI_ID: UBI-015162
Synonyms 3,3-dimethyl-11-[2-phenylethenyl]-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Temperature 318 °C