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3,3-Dimethyl-2,3,4,5,10,11-hexahydro-11-[(3-nitro)phenyl]-1Hdibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID COt1e3MJWO4
InChI InChI=1S/C21H21N3O3/c1-21(2)11-17-19(18(25)12-21)20(13-6-5-7-14(10-13)24(26)27)23-16-9-4-3-8-15(16)22-17/h3-10,20,22-23H,11-12H2,1-2H3
InChIKey UDTSYRNNMDSREV-UHFFFAOYSA-N
Mol Weight 363.42 g/mol
Molecular Formula C21H21N3O3
Exact Mass 363.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmhX2Qda7mQ
Name 3,3-Dimethyl-2,3,4,5,10,11-hexahydro-11-[(3-nitro)phenyl]-1Hdibenzo[b,e][1,4]diazepin-1-one
Alternate Name(s) 3,3-Dimethyl-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N3O3
InChI InChI=1S/C21H21N3O3/c1-21(2)11-17-19(18(25)12-21)20(13-6-5-7-14(10-13)24(26)27)23-16-9-4-3-8-15(16)22-17/h3-10,20,22-23H,11-12H2,1-2H3
InChIKey UDTSYRNNMDSREV-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C4NJ01893A
Molecular Weight 363.417 g/mol
SMILES N1C(C2=C(Nc3c1cccc3)CC(CC2=O)(C)C)c1cc(ccc1)[N+](=O)[O-]
SPLASH splash10-052f-9151000000-095f6cd9ff08ccc3721e
Source of Spectrum Y2-39-1231-3d
Wiley ID 1804588