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6-(4-Dimethylaminophenyl)-9,9-dimethyl-5-pentanoyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
SpectraBase Compound ID AXyrzkUXJDt
InChI InChI=1S/C28H35N3O2/c1-6-7-12-25(33)31-23-11-9-8-10-21(23)29-22-17-28(2,3)18-24(32)26(22)27(31)19-13-15-20(16-14-19)30(4)5/h8-11,13-16,27,29H,6-7,12,17-18H2,1-5H3
InChIKey WFCYVGXXJPBHNY-UHFFFAOYSA-N
Mol Weight 445.6 g/mol
Molecular Formula C28H35N3O2
Exact Mass 445.272927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dIVPHdqVs
Name 6-(4-Dimethylaminophenyl)-9,9-dimethyl-5-pentanoyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Alternate Name(s) 6-[4-(dimethylamino)phenyl]-9,9-dimethyl-5-(1-oxopentyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one 6-[4-(dimethylamino)phenyl]-9,9-dimethyl-5-pentanoyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
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Formula C28H35N3O2
InChI InChI=1S/C28H35N3O2/c1-6-7-12-25(33)31-23-11-9-8-10-21(23)29-22-17-28(2,3)18-24(32)26(22)27(31)19-13-15-20(16-14-19)30(4)5/h8-11,13-16,27,29H,6-7,12,17-18H2,1-5H3
InChIKey WFCYVGXXJPBHNY-UHFFFAOYSA-N
Molecular Weight 445.607 g/mol
SMILES N1c2c(N(C(C3=C1CC(CC3=O)(C)C)c1ccc(cc1)N(C)C)C(CCCC)=O)cccc2
SPLASH splash10-052f-9310000000-c9e2ee75a7ea9c635472
Wiley ID 1438629