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3-(5'-Isopropenyl-2'-methyl-1'-oxo-2'-cyclohexen-6'-yl)propanal
SpectraBase Compound ID APHBkz8lD5f
InChI InChI=1S/C13H18O2/c1-9(2)11-7-6-10(3)13(15)12(11)5-4-8-14/h6,8,11-12H,1,4-5,7H2,2-3H3
InChIKey LMFRPVBYRFXHCJ-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DorzUTvZKcf
Name 3-(5'-Isopropenyl-2'-methyl-1'-oxo-2'-cyclohexen-6'-yl)propanal
Alternate Name(s) 3-(6-isopropenyl-3-methyl-2-oxo-3-cyclohexen-1-yl)propanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-9(2)11-7-6-10(3)13(15)12(11)5-4-8-14/h6,8,11-12H,1,4-5,7H2,2-3H3
InChIKey LMFRPVBYRFXHCJ-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES C1(C(C(C(=C)C)CC=C1C)CCC=O)=O
SPLASH splash10-001i-9700000000-12310e0f00edfbd6b803
Source of Spectrum AH-129-709-8
Wiley ID 770535