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2-(10-isocyano-10-methyl-undecyl)isoindole-1,3-dione
SpectraBase Compound ID FwS66XRHVAV
InChI InChI=1S/C21H28N2O2/c1-21(2,22-3)15-11-7-5-4-6-8-12-16-23-19(24)17-13-9-10-14-18(17)20(23)25/h9-10,13-14H,4-8,11-12,15-16H2,1-2H3
InChIKey XTLAMSLAVGAOOE-UHFFFAOYSA-N
Mol Weight 340.47 g/mol
Molecular Formula C21H28N2O2
Exact Mass 340.215078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rVuA539Wt3
Name 2-(10-isocyano-10-methyl-undecyl)isoindole-1,3-dione
Alternate Name(s) 2-(10-isocyano-10-methyl-undecyl)isoindoline-1,3-quinone 2-(10-isocyano-10-methylundecyl)isoindole-1,3-dione
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Formula C21H28N2O2
InChI InChI=1S/C21H28N2O2/c1-21(2,22-3)15-11-7-5-4-6-8-12-16-23-19(24)17-13-9-10-14-18(17)20(23)25/h9-10,13-14H,4-8,11-12,15-16H2,1-2H3
InChIKey XTLAMSLAVGAOOE-UHFFFAOYSA-N
Molecular Weight 340.467 g/mol
SMILES C1(N(C(c2ccccc12)=O)CCCCCCCCCC([N+]#[C-])(C)C)=O
SPLASH splash10-03di-0927000000-00c5ffee936b7fa533e2
Source of Spectrum SO-0-442-4
Wiley ID 864248