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2-(3',3'-Dimethyl-1'-butyn-1'-yl)-1-cyclohexenecarbaldehyde

View entire compound with spectra: 1 MS (GC)

2-(3',3'-Dimethyl-1'-butyn-1'-yl)-1-cyclohexenecarbaldehyde
SpectraBase Compound ID IaRpEJVgmO6
InChI InChI=1S/C13H18O/c1-13(2,3)9-8-11-6-4-5-7-12(11)10-14/h10H,4-7H2,1-3H3
InChIKey HLRKGTJTEGGNIU-UHFFFAOYSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fEeoKSAVnd
Name 2-(3',3'-Dimethyl-1'-butyn-1'-yl)-1-cyclohexenecarbaldehyde
Alternate Name(s) 2-(3,3-dimethyl-1-butynyl)-1-cyclohexene-1-carbaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C13H18O
InChI InChI=1S/C13H18O/c1-13(2,3)9-8-11-6-4-5-7-12(11)10-14/h10H,4-7H2,1-3H3
InChIKey HLRKGTJTEGGNIU-UHFFFAOYSA-N
Molecular Weight 190.286 g/mol
SMILES C(#CC(C)(C)C)C1=C(C=O)CCCC1
SPLASH splash10-004i-0900000000-bd8fbf7a62e424c012c9
Source of Spectrum K-128-857-24
Wiley ID 1187070