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2-(1'-Pentyn-1'-yl)-1-cyclohexenecarbaldehyde
SpectraBase Compound ID JoiCosTnmbJ
InChI InChI=1S/C12H16O/c1-2-3-4-7-11-8-5-6-9-12(11)10-13/h10H,2-3,5-6,8-9H2,1H3
InChIKey VQOLKAHSCZVGCI-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yCdZvnJKtV
Name 2-(1'-Pentyn-1'-yl)-1-cyclohexenecarbaldehyde
Alternate Name(s) 2-(1-pentynyl)-1-cyclohexene-1-carbaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C12H16O
InChI InChI=1S/C12H16O/c1-2-3-4-7-11-8-5-6-9-12(11)10-13/h10H,2-3,5-6,8-9H2,1H3
InChIKey VQOLKAHSCZVGCI-UHFFFAOYSA-N
Molecular Weight 176.259 g/mol
SMILES C(C1=C(C=O)CCCC1)#CCCC
SPLASH splash10-0002-0900000000-e7d2b4184ab1caf46b13
Source of Spectrum K-128-857-24
Wiley ID 1172802