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3,3-Dimethyl-8-[(o-methyl)phenoxy]-11-[(o-chloro)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID JM2GUJZTOul
InChI InChI=1S/C28H27ClN2O2/c1-17-8-4-7-11-25(17)33-18-12-13-21-22(14-18)31-27(19-9-5-6-10-20(19)29)26-23(30-21)15-28(2,3)16-24(26)32/h4-14,27,30-31H,15-16H2,1-3H3
InChIKey ZINLLFWTSRSINV-UHFFFAOYSA-N
Mol Weight 458.99 g/mol
Molecular Formula C28H27ClN2O2
Exact Mass 458.176106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PCTOhrameb
Name 3,3-Dimethyl-8-[(o-methyl)phenoxy]-11-[(o-chloro)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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Formula C28H27ClN2O2
InChI InChI=1S/C28H27ClN2O2/c1-17-8-4-7-11-25(17)33-18-12-13-21-22(14-18)31-27(19-9-5-6-10-20(19)29)26-23(30-21)15-28(2,3)16-24(26)32/h4-14,27,30-31H,15-16H2,1-3H3
InChIKey ZINLLFWTSRSINV-UHFFFAOYSA-N
Molecular Weight 458.989 g/mol
SMILES N1c2cc(ccc2NC2=C(C1c1c(Cl)cccc1)C(CC(C)(C)C2)=O)Oc1c(C)cccc1
SPLASH splash10-052b-0008900000-6161511119ffb4f41325
Source of Spectrum Y-46-1116-3
Wiley ID 1666983