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1,2,3,4-Tetrahydropentalene, 1,1-dimethyl-3-cyanomethylene-

View entire compound with spectra: 2 MS (GC)

1,2,3,4-Tetrahydropentalene, 1,1-dimethyl-3-cyanomethylene-
SpectraBase Compound ID JitQIpBqZ5E
InChI InChI=1S/C12H13N/c1-12(2)8-9(6-7-13)10-4-3-5-11(10)12/h3,5-6H,4,8H2,1-2H3/b9-6+
InChIKey LZLVLIGARXBUHY-RMKNXTFCSA-N
Mol Weight 171.24 g/mol
Molecular Formula C12H13N
Exact Mass 171.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8piB1E7TBv
Name 1,2,3,4-Tetrahydropentalene, 1,1-dimethyl-3-cyanomethylene-
Alternate Name(s) (2E)-(3,3-Dimethyl-3,6-dihydro-1(2H)-pentalenylidene)ethanenitrile (2E)-2-(3,3-dimethyl-2,6-dihydropentalen-1-ylidene)acetonitrile (2E)-2-(3,3-dimethyl-2,6-dihydropentalen-1-ylidene)ethanenitrile
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Formula C12H13N
InChI InChI=1S/C12H13N/c1-12(2)8-9(6-7-13)10-4-3-5-11(10)12/h3,5-6H,4,8H2,1-2H3/b9-6+
InChIKey LZLVLIGARXBUHY-RMKNXTFCSA-N
Molecular Weight 171.243 g/mol
SMILES C=1C2=C(CC1)\C(CC2(C)C)=C\C#N
SPLASH splash10-0a4i-4900000000-b5a7f2ceae90e2f1b235
Wiley ID 1474352