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3,3-Dimethyl-10-propionyl-11-(3,4,4-trimethyl-cyclopent-2-enylmethyl)-2,3,4,5,10,11-hexahydro-dibenzo[b,e][1,4]diazepin-1-one

View entire compound with spectra: 1 MS (GC)

3,3-Dimethyl-10-propionyl-11-(3,4,4-trimethyl-cyclopent-2-enylmethyl)-2,3,4,5,10,11-hexahydro-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 7AYYVr1Pmg2
InChI InChI=1S/C27H36N2O2/c1-7-24(31)29-21-11-9-8-10-19(21)28-20-15-26(3,4)16-23(30)25(20)22(29)13-18-12-17(2)27(5,6)14-18/h8-12,18,22,28H,7,13-16H2,1-6H3
InChIKey QXJRAFKEXHQMSV-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C27H36N2O2
Exact Mass 420.277678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96RRylD3jp2
Name 3,3-Dimethyl-10-propionyl-11-(3,4,4-trimethyl-cyclopent-2-enylmethyl)-2,3,4,5,10,11-hexahydro-dibenzo[b,e][1,4]diazepin-1-one
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Formula C27H36N2O2
InChI InChI=1S/C27H36N2O2/c1-7-24(31)29-21-11-9-8-10-19(21)28-20-15-26(3,4)16-23(30)25(20)22(29)13-18-12-17(2)27(5,6)14-18/h8-12,18,22,28H,7,13-16H2,1-6H3
InChIKey QXJRAFKEXHQMSV-UHFFFAOYSA-N
Molecular Weight 420.597 g/mol
SMILES N1c2c(N(C(C3=C1CC(CC3=O)(C)C)CC1C=C(C(C1)(C)C)C)C(CC)=O)cccc2
SPLASH splash10-052f-7692000000-b7dd960922aabef7d4bb
Synonyms 3,3-Dimethyl-10-propionyl-11-[(3,4,4-trimethyl-2-cyclopenten-1-yl)methyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Wiley ID 1437626