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1-(p-Nitrobenzylidene)-5,6-butano-7-azaindane
SpectraBase Compound ID IulR1F8cg1z
InChI InChI=1S/C19H18N2O2/c22-21(23)17-9-5-13(6-10-17)11-15-7-8-16-12-14-3-1-2-4-18(14)20-19(15)16/h5-6,9-12H,1-4,7-8H2/b15-11+
InChIKey WHGKFIXRPYCBLR-RVDMUPIBSA-N
Mol Weight 306.37 g/mol
Molecular Formula C19H18N2O2
Exact Mass 306.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K88GjndmIzi
Name 1-(p-Nitrobenzylidene)-5,6-butano-7-azaindane
Alternate Name(s) (3E)-3-(4-nitrobenzylidene)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinoline
Comments Less than 3 mono-isotopic peaks
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Formula C19H18N2O2
InChI InChI=1S/C19H18N2O2/c22-21(23)17-9-5-13(6-10-17)11-15-7-8-16-12-14-3-1-2-4-18(14)20-19(15)16/h5-6,9-12H,1-4,7-8H2/b15-11+
InChIKey WHGKFIXRPYCBLR-RVDMUPIBSA-N
Molecular Weight 306.365 g/mol
SMILES c12nc3c(cc1CC\C2=C\c1ccc(N(=O)=O)cc1)CCCC3
SPLASH splash10-0zfr-0019000000-9826cd841bc497f0f8b1
Source of Spectrum O1-29-245-17
Wiley ID 818455