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1'-Methylspiro[bicyclo[3.3.0]oct-2(6)-ene-1,3'-indoline]-2'-carbonitrile isomer
SpectraBase Compound ID H1Kg9IJUMR7
InChI InChI=1S/C17H18N2/c1-19-15-8-3-2-6-14(15)17(16(19)11-18)10-9-12-5-4-7-13(12)17/h2-3,6,8,16H,4-5,7,9-10H2,1H3
InChIKey QISQHBALBPXLFK-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C17H18N2
Exact Mass 250.146999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gbevlSJfwF
Name 1'-Methylspiro[bicyclo[3.3.0]oct-2(6)-ene-1,3'-indoline]-2'-carbonitrile isomer
Alternate Name(s) 1'-methyl-2'-spiro[2,3,4,5-tetrahydro-1H-pentalene-6,3'-2H-indole]carbonitrile 1'-methylspiro[2,3,4,5-tetrahydro-1H-pentalene-6,3'-2H-indole]-2'-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C17H18N2
InChI InChI=1S/C17H18N2/c1-19-15-8-3-2-6-14(15)17(16(19)11-18)10-9-12-5-4-7-13(12)17/h2-3,6,8,16H,4-5,7,9-10H2,1H3
InChIKey QISQHBALBPXLFK-UHFFFAOYSA-N
Molecular Weight 250.345 g/mol
SMILES C12(C(N(C)c3c2cccc3)C#N)C2=C(CCC2)CC1
SPLASH splash10-014i-0930000000-f7782bdcb4fb32d131b4
Source of Spectrum J-58-3104-15
Wiley ID 1254060