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3,3-Dimethyl-2,3,4,5,10,11-hexahydro-11-[(2,3-dichloro)phenyl]-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID L4UgsSD74Vd
InChI InChI=1S/C21H20Cl2N2O/c1-21(2)10-16-18(17(26)11-21)20(12-6-5-7-13(22)19(12)23)25-15-9-4-3-8-14(15)24-16/h3-9,20,24-25H,10-11H2,1-2H3
InChIKey XQQHNHILUJTGTP-UHFFFAOYSA-N
Mol Weight 387.31 g/mol
Molecular Formula C21H20Cl2N2O
Exact Mass 386.095269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nMPPREICG
Name 3,3-Dimethyl-2,3,4,5,10,11-hexahydro-11-[(2,3-dichloro)phenyl]-1H-dibenzo[b,e][1,4]diazepin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20Cl2N2O
InChI InChI=1S/C21H20Cl2N2O/c1-21(2)10-16-18(17(26)11-21)20(12-6-5-7-13(22)19(12)23)25-15-9-4-3-8-14(15)24-16/h3-9,20,24-25H,10-11H2,1-2H3
InChIKey XQQHNHILUJTGTP-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C4NJ01893A
Molecular Weight 387.310 g/mol
SMILES N1C(C2=C(Nc3c1cccc3)CC(CC2=O)(C)C)c1c(c(ccc1)Cl)Cl
SPLASH splash10-0ktf-9144000000-7bf20beddb7b70226be7
Source of Spectrum Y2-39-1231-3g
Synonyms 11-(2,3-dichlorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Wiley ID 1804590