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1H-dibenzo[b,e][1,4]diazepin-1-one, 3-(1,3-benzodioxol-5-yl)-2,3,4,5,10,11-hexahydro-11-[4-(trifluoromethyl)phenyl]-
SpectraBase Compound ID 3MaY5yOoTKe
InChI InChI=1S/C27H21F3N2O3/c28-27(29,30)18-8-5-15(6-9-18)26-25-21(31-19-3-1-2-4-20(19)32-26)11-17(12-22(25)33)16-7-10-23-24(13-16)35-14-34-23/h1-10,13,17,26,31-32H,11-12,14H2
InChIKey RISRGOPCJLNIQE-UHFFFAOYSA-N
Mol Weight 478.47 g/mol
Molecular Formula C27H21F3N2O3
Exact Mass 478.150427 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DXdqrezw0on
Name 1H-dibenzo[b,e][1,4]diazepin-1-one, 3-(1,3-benzodioxol-5-yl)-2,3,4,5,10,11-hexahydro-11-[4-(trifluoromethyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.150427030 u
Formula C27H21F3N2O3
InChI InChI=1S/C27H21F3N2O3/c28-27(29,30)18-8-5-15(6-9-18)26-25-21(31-19-3-1-2-4-20(19)32-26)11-17(12-22(25)33)16-7-10-23-24(13-16)35-14-34-23/h1-10,13,17,26,31-32H,11-12,14H2
InChIKey RISRGOPCJLNIQE-UHFFFAOYSA-N
Molecular Weight 478.471 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8097
Solvent DMSO-d6
Source Vendor ID: NMR/9291206; Lab Info: SAS; Lab Number: SAS-tst2945
Temperature 29.85 °C