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Methyl (4aS*,8S*,8aR*)-1-oxo-3,4,4a,7,8,8a-hexahydro-1H-isochromene-8-carboxylate
SpectraBase Compound ID 3tXFDJPpeJQ
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-HRDYMLBCSA-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 1izYC85URvL
Name Methyl (4aS*,8S*,8aR*)-1-oxo-3,4,4a,7,8,8a-hexahydro-1H-isochromene-8-carboxylate
Alternate Name(s) (4aS,8S,8aR)-1-oxo-3,4,4a,7,8,8a-hexahydro-2-benzopyran-8-carboxylic acid methyl ester Methyl (4aS,8S,8aR)-1-oxo-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate Methyl (4aS,8S,8aR)-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-HRDYMLBCSA-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 splash10-0fb9-4900000000-b370bc653a13fd997175
Source of Spectrum F-67-188-26a
Wiley ID 1685362