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SECOINFUSCANAL
SpectraBase Compound ID IS1sIG9bQDu
InChI InChI=1S/C15H24O2/c1-10(2)13-8-6-12(4)14(15(13)17)7-5-11(3)9-16/h5,9-10,12-14H,6-8H2,1-4H3/b11-5+/t12-,13+,14+/m1/s1
InChIKey ANNXGWUSDOUWBS-XMASSBRRSA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Mpflpc0gHo
Name (E)-2-methyl-4-[(1S,3S,6R)-6-methyl-2-oxidanylidene-3-propan-2-yl-cyclohexyl]but-2-enal
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Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-10(2)13-8-6-12(4)14(15(13)17)7-5-11(3)9-16/h5,9-10,12-14H,6-8H2,1-4H3/b11-5+/t12-,13+,14+/m1/s1
InChIKey ANNXGWUSDOUWBS-XMASSBRRSA-N
Molecular Weight 236.355 g/mol
SMILES C1([C@@](C\C=C\(C=O)C)([C@](C)(CC[C@]1(C(C)C)[H])[H])[H])=O
SPLASH splash10-066v-9810000000-19095c6e492b299c6dac
Source of Spectrum G4-64-1316-9
Synonyms (E)-2-methyl-4-[(1S,3S,6R)-6-methyl-2-oxo-3-propan-2-ylcyclohexyl]-2-butenal (E)-2-methyl-4-[(1S,3S,6R)-6-methyl-2-oxo-3-propan-2-ylcyclohexyl]but-2-enal (E)-4-[(1S,3S,6R)-3-isopropyl-2-keto-6-methyl-cyclohexyl]-2-methyl-but-2-enal (E)-4-[(1S,3S,6R)-3-isopropyl-6-methyl-2-oxo-cyclohexyl]-2-methyl-but-2-enal
Wiley ID 1609287