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4-Cyano-1,4-dimethyl-1,2,3,4-tetrahydroisoquinolin-3(2H)-one

View entire compound with spectra: 1 MS (GC)

4-Cyano-1,4-dimethyl-1,2,3,4-tetrahydroisoquinolin-3(2H)-one
SpectraBase Compound ID FMQLNyFivKY
InChI InChI=1S/C12H12N2O/c1-8-9-5-3-4-6-10(9)12(2,7-13)11(15)14-8/h3-6,8H,1-2H3,(H,14,15)/t8-,12-/m1/s1
InChIKey SARYZWHZLVUZKJ-PRHODGIISA-N
Mol Weight 200.24 g/mol
Molecular Formula C12H12N2O
Exact Mass 200.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNxH5EH9ReK
Name 4-Cyano-1,4-dimethyl-1,2,3,4-tetrahydroisoquinolin-3(2H)-one
Alternate Name(s) (1R,4S)-1,4-Dimethyl-3-oxo-1,2,3,4-tetrahydro-isoquinoline-4-carbonitrile 1,4-Dimethyl-3-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarbonitrile
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Formula C12H12N2O
InChI InChI=1S/C12H12N2O/c1-8-9-5-3-4-6-10(9)12(2,7-13)11(15)14-8/h3-6,8H,1-2H3,(H,14,15)/t8-,12-/m1/s1
InChIKey SARYZWHZLVUZKJ-PRHODGIISA-N
Molecular Weight 200.241 g/mol
SMILES N1[C@@](c2c([C@](C1=O)(C#N)C)cccc2)(C)[H]
SPLASH splash10-0a59-3900000000-05f12412f4ffa2b2c99f
Source of Spectrum F-49-2350-6
Wiley ID 1197923