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Methyl (4aS*,8R*,8aS*)-1-oxo-3,4,4a,7,8,8a-hexahydro-1Hisochromene-8-carboxylate
SpectraBase Compound ID 1TMLK3mKznA
InChI InChI=1S/C11H14O4/c1-14-10(12)8-4-2-3-7-5-6-15-11(13)9(7)8/h2-3,7-9H,4-6H2,1H3/t7-,8-,9+/m1/s1
InChIKey YFGBSDSBLOGQLX-HLTSFMKQSA-N
Mol Weight 210.23 g/mol
Molecular Formula C11H14O4
Exact Mass 210.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9esCYJXrV7f
Name Methyl (4aS*,8R*,8aS*)-1-oxo-3,4,4a,7,8,8a-hexahydro-1Hisochromene-8-carboxylate
Alternate Name(s) (4aS,8R,8aS)-1-oxo-3,4,4a,7,8,8a-hexahydro-2-benzopyran-8-carboxylic acid methyl ester Methyl (4aS,8R,8aS)-1-oxo-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate Methyl (4aS,8R,8aS)-1-oxidanylidene-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate
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Formula C11H14O4
InChI InChI=1S/C11H14O4/c1-14-10(12)8-4-2-3-7-5-6-15-11(13)9(7)8/h2-3,7-9H,4-6H2,1H3/t7-,8-,9+/m1/s1
InChIKey YFGBSDSBLOGQLX-HLTSFMKQSA-N
Molecular Weight 210.229 g/mol
SMILES C1([C@@]2([C@](C(=O)OC)(CC=C[C@]2([H])CCO1)[H])[H])=O
SPLASH splash10-004l-9800000000-370dfff3621c9bd64a4e
Source of Spectrum F-67-188-25a
Wiley ID 1685363