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(2Z,4E,8E)-13-hydroxy-2-isopropyl-12-keto-5,9,13-trimethyl-tetradeca-2,4,8-trienenitrile
SpectraBase Compound ID BOX0EvkDymJ
InChI InChI=1S/C20H31NO2/c1-15(2)18(14-21)12-10-16(3)8-7-9-17(4)11-13-19(22)20(5,6)23/h9-10,12,15,23H,7-8,11,13H2,1-6H3/b16-10+,17-9+,18-12+
InChIKey OALASHVJIIEHNR-OETPLVDVSA-N
Mol Weight 317.47 g/mol
Molecular Formula C20H31NO2
Exact Mass 317.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID XatS16k7W2
Name (2Z,4E,8E)-13-hydroxy-2-isopropyl-12-keto-5,9,13-trimethyl-tetradeca-2,4,8-trienenitrile
Alternate Name(s) (2Z,4E,8E)-13-hydroxy-2-isopropyl-5,9,13-trimethyl-12-oxo-tetradeca-2,4,8-trienenitrile (2Z,4E,8E)-13-hydroxy-5,9,13-trimethyl-12-oxo-2-propan-2-yltetradeca-2,4,8-trienenitrile (2Z,4E,8E)-5,9,13-trimethyl-13-oxidanyl-12-oxidanylidene-2-propan-2-yl-tetradeca-2,4,8-trienenitrile
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Formula C20H31NO2
InChI InChI=1S/C20H31NO2/c1-15(2)18(14-21)12-10-16(3)8-7-9-17(4)11-13-19(22)20(5,6)23/h9-10,12,15,23H,7-8,11,13H2,1-6H3/b16-10+,17-9+,18-12+
InChIKey OALASHVJIIEHNR-OETPLVDVSA-N
Molecular Weight 317.473 g/mol
SMILES OC(C(CC\C(=C\CC\C(=C\C=C/(C#N)C(C)C)C)C)=O)(C)C
SPLASH splash10-053r-9110000000-57c0df1a5c46942664d6
Source of Spectrum KC-0-754-20
Wiley ID 783441