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(-)-(E)-trans-Bergamota-2,12-dien-14-al
SpectraBase Compound ID HhVrBuQtTA3
InChI InChI=1S/C15H22O/c1-11(10-16)5-4-8-15(3)13-7-6-12(2)14(15)9-13/h5-6,10,13-14H,4,7-9H2,1-3H3/b11-5+/t13-,14-,15+/m0/s1
InChIKey QWQJWQIDOZWIKY-MCKJQBSKSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5qnM0po984P
Name (-)-(E)-trans-Bergamota-2,12-dien-14-al
Alternate Name(s) (2E)-5-[(1S,5S,6R)-2,6-dimethylbicyclo[3.1.1]hept-2-en-6-yl]-2-methyl-2-pentenal (E)-5-[(1S,5S,6R)-4,6-dimethyl-6-bicyclo[3.1.1]hept-3-enyl]-2-methyl-2-pentenal (E)-5-[(1S,5S,6R)-4,6-dimethyl-6-bicyclo[3.1.1]hept-3-enyl]-2-methylpent-2-enal
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Formula C15H22O
InChI InChI=1S/C15H22O/c1-11(10-16)5-4-8-15(3)13-7-6-12(2)14(15)9-13/h5-6,10,13-14H,4,7-9H2,1-3H3/b11-5+/t13-,14-,15+/m0/s1
InChIKey QWQJWQIDOZWIKY-MCKJQBSKSA-N
Molecular Weight 218.340 g/mol
SMILES [C@]12([C@@](CC\C=C\(C=O)C)(C)[C@](C2)(CC=C1C)[H])[H]
SPLASH splash10-052f-9600000000-1267a2549066c43e5f04
Source of Spectrum H-60-2188-0
Wiley ID 1218252