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2-(3,5,5-trimethyl-3-oxidanyl-cyclohexen-1-yl)prop-2-enenitrile
SpectraBase Compound ID JDbP7QzW1X2
InChI InChI=1S/C12H17NO/c1-9(7-13)10-5-11(2,3)8-12(4,14)6-10/h6,14H,1,5,8H2,2-4H3
InChIKey GHMWDNZFTWZYRD-UHFFFAOYSA-N
Mol Weight 191.27 g/mol
Molecular Formula C12H17NO
Exact Mass 191.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjDbSLpmhXM
Name 2-(3,5,5-trimethyl-3-oxidanyl-cyclohexen-1-yl)prop-2-enenitrile
Alternate Name(s) 2-(3-hydroxy-3,5,5-trimethyl-1-cyclohexenyl)-2-propenenitrile 2-(3-hydroxy-3,5,5-trimethyl-cyclohexen-1-yl)acrylonitrile 2-(3-hydroxy-3,5,5-trimethyl-cyclohexen-1-yl)prop-2-enenitrile
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Formula C12H17NO
InChI InChI=1S/C12H17NO/c1-9(7-13)10-5-11(2,3)8-12(4,14)6-10/h6,14H,1,5,8H2,2-4H3
InChIKey GHMWDNZFTWZYRD-UHFFFAOYSA-N
Molecular Weight 191.274 g/mol
SMILES OC1(C=C(C(C#N)=C)CC(C1)(C)C)C
SPLASH splash10-004i-0900000000-00e2622dfe0c2c590060
Source of Spectrum K-2002-1598-22
Wiley ID 1612878