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2-(2,3-Dihydro-3-oxo-2,5-dimethyl-2-ethyl-1H-indole-1-yl)-3-methylpent-2-enenitrile isomer
SpectraBase Compound ID KJXNcdDNm0r
InChI InChI=1S/C18H22N2O/c1-6-13(4)16(11-19)20-15-9-8-12(3)10-14(15)17(21)18(20,5)7-2/h8-10H,6-7H2,1-5H3/b16-13+
InChIKey JPIPMGOBWVJAJB-DTQAZKPQSA-N
Mol Weight 282.39 g/mol
Molecular Formula C18H22N2O
Exact Mass 282.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZlwLRBpJyQ
Name 2-(2,3-Dihydro-3-oxo-2,5-dimethyl-2-ethyl-1H-indole-1-yl)-3-methylpent-2-enenitrile isomer
Alternate Name(s) (E)-2-(2-ethyl-2,5-dimethyl-3-oxo-1-indolyl)-3-methyl-2-pentenenitrile (E)-2-(2-ethyl-2,5-dimethyl-3-oxoindol-1-yl)-3-methylpent-2-enenitrile (E)-2-(2-ethyl-2,5-dimethyl-3-oxo-indolin-1-yl)-3-methyl-pent-2-enenitrile (E)-2-(2-ethyl-2,5-dimethyl-3-oxidanylidene-indol-1-yl)-3-methyl-pent-2-enenitrile
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Formula C18H22N2O
InChI InChI=1S/C18H22N2O/c1-6-13(4)16(11-19)20-15-9-8-12(3)10-14(15)17(21)18(20,5)7-2/h8-10H,6-7H2,1-5H3/b16-13+
InChIKey JPIPMGOBWVJAJB-DTQAZKPQSA-N
Molecular Weight 282.387 g/mol
SMILES C1(N(c2c(C1=O)cc(cc2)C)\C(C#N)=C/(CC)C)(CC)C
SPLASH splash10-0ue9-0090000000-448d4ba916d4722ca4e3
Source of Spectrum K-2002-2368-11
Wiley ID 1613125