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3-(Hydroxymethyl)-6-(methoxymethyl)-2-methylspiro[4.4]non-2-en-1-one
SpectraBase Compound ID JRymWNKZ8G9
InChI InChI=1S/C13H18O4/c1-8-9(7-14)6-13(11(8)15)5-3-4-10(13)12(16)17-2/h10,14H,3-7H2,1-2H3/t10-,13+/m1/s1
InChIKey HBQNKGJEUFLUAG-MFKMUULPSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApMUtNItfU4
Name 3-(Hydroxymethyl)-6-(methoxymethyl)-2-methylspiro[4.4]non-2-en-1-one
Alternate Name(s) (2S,4S)-8-Hydroxymethyl-7-methyl-6-oxo-spiro[4.4]non-7-ene-1-carboxylic acid methyl ester Methyl-8-(hydroxymethyl)-6-oxo-7-methylspiro[4.4]non-7-en-1-carboxylate
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Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-8-9(7-14)6-13(11(8)15)5-3-4-10(13)12(16)17-2/h10,14H,3-7H2,1-2H3/t10-,13+/m1/s1
InChIKey HBQNKGJEUFLUAG-MFKMUULPSA-N
Molecular Weight 238.283 g/mol
SMILES OCC=1C[C@]2(C(C1C)=O)[C@@](C(=O)OC)(CCC2)[H]
SPLASH splash10-05pa-2910000000-f9c7ab9f506ad0be9777
Source of Spectrum C-114-10460-36
Wiley ID 1240545