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(3R)-3-(1-methylethenyl)-6-oxoheptanal
SpectraBase Compound ID 90yWx0TfGZZ
InChI InChI=1S/C10H16O2/c1-8(2)10(6-7-11)5-4-9(3)12/h7,10H,1,4-6H2,2-3H3/t10-/m1/s1
InChIKey OGCGCISRMFSLTC-SNVBAGLBSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8oxonLzUR9O
Name (3R)-3-(1-methylethenyl)-6-oxoheptanal
Comments Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1820884
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Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-8(2)10(6-7-11)5-4-9(3)12/h7,10H,1,4-6H2,2-3H3/t10-/m1/s1
InChIKey OGCGCISRMFSLTC-SNVBAGLBSA-N
Molecular Weight 168.236 g/mol
SMILES C(=C)([C@](CCC(=O)C)(CC=O)[H])C
SPLASH splash10-004l-9000000000-3e17ca0f744635533eb8
Source of Spectrum H-76-815-5
Synonyms (3R)-3-(3-ketobutyl)-4-methyl-pent-4-enal (3R)-3-isopropenyl-6-oxo-heptanal (3R)-6-oxidanylidene-3-prop-1-en-2-yl-heptanal (3R)-6-oxo-3-prop-1-en-2-ylheptanal
Wiley ID 1164953