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7-ALPHA-ACETYL-6-BETA-(FORMYLMETHYL)-6-ALPHA,7-BETA-DIHYDRO-1,4-DIOXASPIRO-[4.5]-DECANE;MAJOR-ISOMER
SpectraBase Compound ID 372ulEQanOf
InChI InChI=1S/C12H18O4/c1-9(14)10-3-2-5-12(11(10)4-6-13)15-7-8-16-12/h6,10-11H,2-5,7-8H2,1H3/t10-,11-/m0/s1
InChIKey AJXWRBHJUJOFCT-QWRGUYRKSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DcXYz1H5hSj
Name trans-7.alpha.-Acetyl-6.beta.-(formylmethyl)-6.alpha.,7.beta.-dihydro-1,4-dioxaspiro[4.5]decane
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Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-9(14)10-3-2-5-12(11(10)4-6-13)15-7-8-16-12/h6,10-11H,2-5,7-8H2,1H3/t10-,11-/m0/s1
InChIKey AJXWRBHJUJOFCT-QWRGUYRKSA-N
Molecular Weight 226.272 g/mol
SMILES C12([C@]([C@](C(=O)C)(CCC2)[H])(CC=O)[H])OCCO1
SPLASH splash10-03dj-5900000000-0f063b7c33e82d1b003b
Source of Spectrum C-116-3320-11
Synonyms 2-[(9R,10S)-9-acetyl-1,4-dioxaspiro[4.5]decan-10-yl]acetaldehyde 2-[(9R,10S)-9-ethanoyl-1,4-dioxaspiro[4.5]decan-10-yl]ethanal 7.alpha.-Acetyl-6.beta.-(formylmethyl)-6.alpha.,7.beta.-dihydro-1,4-dioxaspiro[4.5]decane [(6S,7R)-7-acetyl-1,4-dioxaspiro[4.5]dec-6-yl]acetaldehyde 2-[(6S,7R)-7-ethanoyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanal
Wiley ID 1227355