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3,3-Dimethyl-10-nitroso-11-(p-nitrobenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]-diazepin-1-one
SpectraBase Compound ID Gw3Ym20MzXD
InChI InChI=1S/C22H20N4O5/c1-22(2)11-16-19(18(27)12-22)20(21(28)13-7-9-14(10-8-13)26(30)31)25(24-29)17-6-4-3-5-15(17)23-16/h3-10,20,23H,11-12H2,1-2H3
InChIKey AMXISRCMKLRWAM-UHFFFAOYSA-N
Mol Weight 420.43 g/mol
Molecular Formula C22H20N4O5
Exact Mass 420.14337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2u4yc0kHg4w
Name 3,3-Dimethyl-10-nitroso-11-(p-nitrobenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]-diazepin-1-one
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N4O5
InChI InChI=1S/C22H20N4O5/c1-22(2)11-16-19(18(27)12-22)20(21(28)13-7-9-14(10-8-13)26(30)31)25(24-29)17-6-4-3-5-15(17)23-16/h3-10,20,23H,11-12H2,1-2H3
InChIKey AMXISRCMKLRWAM-UHFFFAOYSA-N
Instrument Name Varian 1200 L
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p009.195
Molecular Weight 420.425 g/mol
SMILES N1c2c(N(C(C3=C1CC(CC3=O)(C)C)C(=O)c1ccc(cc1)[N+](=O)[O-])N=O)cccc2
SPLASH splash10-0f76-3952000000-7aad750a6d514900b955
Source of Spectrum ARK-2015-SM10-8d
Wiley ID 1845671