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Integerrinecic acid lactone methyl ester isomer
SpectraBase Compound ID 4KwkStgYHUZ
InChI InChI=1S/C11H16O4/c1-5-8-6-7(2)11(3,10(13)14-4)15-9(8)12/h5,7H,6H2,1-4H3/b8-5-/t7-,11-/m1/s1
InChIKey QOGMUCMPFUUPLG-XCXAYMMVSA-N
Mol Weight 212.24 g/mol
Molecular Formula C11H16O4
Exact Mass 212.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35l7iYvviKf
Name Integerrinecic acid lactone methyl ester isomer
Comments Less than 3 mono-isotopic peaks
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Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-5-8-6-7(2)11(3,10(13)14-4)15-9(8)12/h5,7H,6H2,1-4H3/b8-5-/t7-,11-/m1/s1
InChIKey QOGMUCMPFUUPLG-XCXAYMMVSA-N
Molecular Weight 212.245 g/mol
SMILES [C@@]1(OC(\C(C[C@]1(C)[H])=C\C)=O)(C(=O)OC)C
SPLASH splash10-0udi-0930000000-7b731f81000385930688
Source of Spectrum F-48-404-22
Synonyms (2R,3R)-5-Eth-(Z)-ylidene-2,3-dimethyl-6-oxo-tetrahydro-pyran-2-carboxylic acid methyl ester Integerrinecic acid lactone methyl ester methyl (2Z)-2-[2-(2-oxo-3-oxetanyl)propyl]-2-butenoate (2R,3R,5Z)-5-ethylidene-2,3-dimethyl-6-oxo-2-oxanecarboxylic acid methyl ester methyl (2R,3R,5Z)-5-ethylidene-2,3-dimethyl-6-oxooxane-2-carboxylate methyl (2R,3R,5Z)-5-ethylidene-2,3-dimethyl-6-oxo-tetrahydropyran-2-carboxylate methyl (2R,3R,5Z)-5-ethylidene-2,3-dimethyl-6-oxidanylidene-oxane-2-carboxylate
Wiley ID 1211283