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4-Cyano -4-methyltetralone

View entire compound with spectra: 1 MS (GC)

4-Cyano -4-methyltetralone
SpectraBase Compound ID KE1YxyvEOpC
InChI InChI=1S/C12H11NO/c1-12(8-13)7-6-11(14)9-4-2-3-5-10(9)12/h2-5H,6-7H2,1H3
InChIKey LTMLFMOYBJKAFB-UHFFFAOYSA-N
Mol Weight 185.23 g/mol
Molecular Formula C12H11NO
Exact Mass 185.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5lDecIsMSc1
Name 4-Cyano -4-methyltetralone
Alternate Name(s) 1-methyl-4-oxo-1,2,3,4-tetrahydro-1-naphthalenecarbonitrile 1-methyl-4-oxo-2,3-dihydronaphthalene-1-carbonitrile 1-methyl-4-oxo-tetralin-1-carbonitrile 1-methyl-4-oxidanylidene-2,3-dihydronaphthalene-1-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C12H11NO
InChI InChI=1S/C12H11NO/c1-12(8-13)7-6-11(14)9-4-2-3-5-10(9)12/h2-5H,6-7H2,1H3
InChIKey LTMLFMOYBJKAFB-UHFFFAOYSA-N
Molecular Weight 185.226 g/mol
SMILES c12c(C(=O)CCC2(C#N)C)cccc1
SPLASH splash10-0a4i-0900000000-01f3ae8285a38f88259c
Source of Spectrum KC-1981-1718-0
Wiley ID 1182020