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7-Methylene-4-oxo-1,3,4,7,8,8a-hexahydro-2H-naphthalene-4a-carbonitrile
SpectraBase Compound ID 2nTKLDmMJA8
InChI InChI=1S/C12H13NO/c1-9-5-6-12(8-13)10(7-9)3-2-4-11(12)14/h5-6,10H,1-4,7H2
InChIKey UVPKDGHMHCTCDL-UHFFFAOYSA-N
Mol Weight 187.24 g/mol
Molecular Formula C12H13NO
Exact Mass 187.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GlMaubc3scH
Name 7-Methylene-4-oxo-1,3,4,7,8,8a-hexahydro-2H-naphthalene-4a-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C12H13NO
InChI InChI=1S/C12H13NO/c1-9-5-6-12(8-13)10(7-9)3-2-4-11(12)14/h5-6,10H,1-4,7H2
InChIKey UVPKDGHMHCTCDL-UHFFFAOYSA-N
Molecular Weight 187.242 g/mol
SMILES C12(C=CC(CC2CCCC1=O)=C)C#N
SPLASH splash10-014i-0900000000-9271cc7708d620757d71
Source of Spectrum H-83-561-13
Synonyms 1,5,6,7,8,8a-Hexahydro-7-methylene-5-oxonaphthalene-4a(2H)carbonitrile 7-methylene-4-oxo-1,3,4,7,8,8a-hexahydro-4a(2H)-naphthalenecarbonitrile
Wiley ID 846933