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2-Butyl-5-nitro-3-(6-oxocyclohex-1-en-1-yl)-1H-indole-7-carbonitrile
SpectraBase Compound ID GBJTMyuZWNr
InChI InChI=1S/C19H19N3O3/c1-2-3-7-16-18(14-6-4-5-8-17(14)23)15-10-13(22(24)25)9-12(11-20)19(15)21-16/h6,9-10,21H,2-5,7-8H2,1H3
InChIKey LNKVBNVCKCNYDD-UHFFFAOYSA-N
Mol Weight 337.38 g/mol
Molecular Formula C19H19N3O3
Exact Mass 337.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJMZV5u3aH
Name 2-Butyl-5-nitro-3-(6-oxocyclohex-1-en-1-yl)-1H-indole-7-carbonitrile
Alternate Name(s) 2-butyl-5-nitro-3-(6-oxo-1-cyclohexenyl)-1H-indole-7-carbonitrile 2-butyl-5-nitro-3-(6-oxocyclohexen-1-yl)-1H-indole-7-carbonitrile 2-butyl-5-nitro-3-(6-oxidanylidenecyclohexen-1-yl)-1H-indole-7-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C19H19N3O3
InChI InChI=1S/C19H19N3O3/c1-2-3-7-16-18(14-6-4-5-8-17(14)23)15-10-13(22(24)25)9-12(11-20)19(15)21-16/h6,9-10,21H,2-5,7-8H2,1H3
InChIKey LNKVBNVCKCNYDD-UHFFFAOYSA-N
Molecular Weight 337.379 g/mol
SMILES [nH]1c2c(c(c1CCCC)C=1C(=O)CCCC1)cc(cc2C#N)N(=O)=O
SPLASH splash10-000l-0098000000-75faa736426c5bb6c74f
Source of Spectrum F-66-2382-6ha
Wiley ID 1682319