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2-Formyl-4-.beta.-n-butyl-5-oxatetracyclo[4.2.1.0(2,9).0(3,7)]nonane
SpectraBase Compound ID DbopUnyObOh
InChI InChI=1S/C13H18O2/c1-2-3-4-9-10-7-5-8-11(12(7)15-9)13(8,10)6-14/h6-12H,2-5H2,1H3/t7?,8?,9-,10?,11?,12?,13?/m1/s1
InChIKey BIHSWTPTRXMFID-UCKWPYQCSA-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 70euE6HGBJO
Name 2-Formyl-4-.beta.-n-butyl-5-oxatetracyclo[4.2.1.0(2,9).0(3,7)]nonane
Comments Less than 3 mono-isotopic peaks
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Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-2-3-4-9-10-7-5-8-11(12(7)15-9)13(8,10)6-14/h6-12H,2-5H2,1H3/t7?,8?,9-,10?,11?,12?,13?/m1/s1
InChIKey BIHSWTPTRXMFID-UCKWPYQCSA-N
Molecular Weight 206.285 g/mol
SMILES C12(C3C4C(C2[C@](O4)(CCCC)[H])CC13)C=O
SPLASH splash10-0006-9000000000-4c02575c86930c5c1412
Source of Spectrum QA-44-614-13
Synonyms (9R)-9-butyl-8-oxatetracyclo[4.3.0.0(2,4).0(3,7)]nonane-2-carbaldehyde
Wiley ID 862682