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2-Benzyl-12,12-dimethyl-2-azatetracyclo[6.5.1.0(1,9).0(5,14)]tetradecane-3,10-dione
SpectraBase Compound ID CC9jZhatgre
InChI InChI=1S/C22H27NO2/c1-21(2)11-17(24)20-16-9-8-15-10-18(25)23(22(20,13-21)19(15)16)12-14-6-4-3-5-7-14/h3-7,15-16,19-20H,8-13H2,1-2H3/t15?,16-,19-,20-,22+/m0/s1
InChIKey SGQSTJZGWUZPTN-DTUOWVMXSA-N
Mol Weight 337.46 g/mol
Molecular Formula C22H27NO2
Exact Mass 337.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLRerV4tMNj
Name 2-Benzyl-12,12-dimethyl-2-azatetracyclo[6.5.1.0(1,9).0(5,14)]tetradecane-3,10-dione
Alternate Name(s) 1-Benzyl-8,8-dimethyloctahydro-1H-1-azabenzo[3,4]cyclobuta[1,2,3-cd]indene-2,6(3H,7H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO2
InChI InChI=1S/C22H27NO2/c1-21(2)11-17(24)20-16-9-8-15-10-18(25)23(22(20,13-21)19(15)16)12-14-6-4-3-5-7-14/h3-7,15-16,19-20H,8-13H2,1-2H3/t15?,16-,19-,20-,22+/m0/s1
InChIKey SGQSTJZGWUZPTN-DTUOWVMXSA-N
Molecular Weight 337.463 g/mol
SMILES [C@@]123N(C(CC4[C@@]3([H])[C@@]([C@]1(C(CC(C2)(C)C)=O)[H])(CC4)[H])=O)Cc1ccccc1
SPLASH splash10-0006-9012000000-81ce1ed7f2d3e19248ba
Source of Spectrum AC-133-634-14
Wiley ID 812208