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(.beta.R,7S)-.beta.,7-Dimethyl-8-oxo-1,4-dioxaspiro[4.5]decane-7-propanioic acid
SpectraBase Compound ID Ch295EJfCuU
InChI InChI=1S/C13H20O5/c1-9(7-11(15)16)12(2)8-13(4-3-10(12)14)17-5-6-18-13/h9H,3-8H2,1-2H3,(H,15,16)/t9-,12+/m1/s1
InChIKey VBVUISPTCCCBIB-SKDRFNHKSA-N
Mol Weight 256.3 g/mol
Molecular Formula C13H20O5
Exact Mass 256.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyLlhAMxsHf
Name (.beta.R,7S)-.beta.,7-Dimethyl-8-oxo-1,4-dioxaspiro[4.5]decane-7-propanioic acid
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Formula C13H20O5
InChI InChI=1S/C13H20O5/c1-9(7-11(15)16)12(2)8-13(4-3-10(12)14)17-5-6-18-13/h9H,3-8H2,1-2H3,(H,15,16)/t9-,12+/m1/s1
InChIKey VBVUISPTCCCBIB-SKDRFNHKSA-N
Molecular Weight 256.298 g/mol
SMILES OC(C[C@]([C@]1(C(=O)CCC2(C1)OCCO2)C)(C)[H])=O
SPLASH splash10-0002-9600000000-8608ab17a5e9b0caa6cf
Source of Spectrum KD-12-1686-7
Synonyms (3R)-3-[(7S)-7-methyl-8-oxo-1,4-dioxaspiro[4.5]decan-7-yl]butanoic acid (3R)-3-[(7S)-7-methyl-8-oxidanylidene-1,4-dioxaspiro[4.5]decan-7-yl]butanoic acid
Wiley ID 1634543