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3,3-Dimethyl-2,3,4,5,10,11-hexahydro-11-[(2-nitro)phenyl]-1Hdibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID E63vgOqlQsv
InChI InChI=1S/C21H21N3O3/c1-21(2)11-16-19(18(25)12-21)20(13-7-3-6-10-17(13)24(26)27)23-15-9-5-4-8-14(15)22-16/h3-10,20,22-23H,11-12H2,1-2H3
InChIKey APLUNMQQBTXRAA-UHFFFAOYSA-N
Mol Weight 363.42 g/mol
Molecular Formula C21H21N3O3
Exact Mass 363.158292 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fk6sviqmz7L
Name 1H-dibenzo[b,e][1,4]diazepin-1-one, 2,3,4,5,10,11-hexahydro-3,3-dimethyl-11-(2-nitrophenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.158291545 u
Formula C21H21N3O3
InChI InChI=1S/C21H21N3O3/c1-21(2)11-16-19(18(25)12-21)20(13-7-3-6-10-17(13)24(26)27)23-15-9-5-4-8-14(15)22-16/h3-10,20,22-23H,11-12H2,1-2H3
InChIKey APLUNMQQBTXRAA-UHFFFAOYSA-N
Molecular Weight 363.417 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11730
Solvent DMSO-d6
Source Vendor ID: NMR/10271449; Lab Info: PREZ; Lab Number: PREZ-X000034