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3-(4',4'-Dimethyl-2'-methylenecyclohexyl)-2-methylpropanal
SpectraBase Compound ID 9VJA1xqY08g
InChI InChI=1S/C13H22O/c1-10(9-14)7-12-5-6-13(3,4)8-11(12)2/h9-10,12H,2,5-8H2,1,3-4H3
InChIKey CXCMHVJFNXDWKK-UHFFFAOYSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lmXblKW1Vx
Name 3-(4',4'-Dimethyl-2'-methylenecyclohexyl)-2-methylpropanal
Appearance Light yellow oil
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Formula C13H22O
InChI InChI=1S/C13H22O/c1-10(9-14)7-12-5-6-13(3,4)8-11(12)2/h9-10,12H,2,5-8H2,1,3-4H3
InChIKey CXCMHVJFNXDWKK-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 194.318 g/mol
SMILES C(C(CC1C(CC(CC1)(C)C)=C)C)=O
SPLASH splash10-052f-8900000000-79aef1e76b8354e7a247
Sample Comments Mixture of two diastereomers, dr = 3:2, dr = 3:2
Source of Spectrum GB2529901A
Wiley ID 1852973