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2-(4-Methylphenyl)-3,4-dihydro-2H-pyran-6-carbonitrile
SpectraBase Compound ID KeST9KAUoQk
InChI InChI=1S/C13H13NO/c1-10-5-7-11(8-6-10)13-4-2-3-12(9-14)15-13/h3,5-8,13H,2,4H2,1H3/t13-/m1/s1
InChIKey LQGHZOVHZABRIE-CYBMUJFWSA-N
Mol Weight 199.25 g/mol
Molecular Formula C13H13NO
Exact Mass 199.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXQOSNQwwmt
Name 2-(4-Methylphenyl)-3,4-dihydro-2H-pyran-6-carbonitrile
Alternate Name(s) 2-(p-tolyl)-3,4-dihydro-2H-pyran-6-carbonitrile (2R)-2-(4-methylphenyl)-3,4-dihydro-2H-pyran-6-carbonitrile
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Formula C13H13NO
InChI InChI=1S/C13H13NO/c1-10-5-7-11(8-6-10)13-4-2-3-12(9-14)15-13/h3,5-8,13H,2,4H2,1H3/t13-/m1/s1
InChIKey LQGHZOVHZABRIE-CYBMUJFWSA-N
Molecular Weight 199.253 g/mol
SMILES C=1(O[C@](CCC1)(c1ccc(cc1)C)[H])C#N
SPLASH splash10-014i-0900000000-d7f3ac0ca2dcd7c6b716
Source of Spectrum H-82-1128-8
Wiley ID 815411