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(3aS,4S,7aS)-6-Methyl-3,7-dioxo-octahydro-benzofuran-4-carboxylic acid methyl ester
SpectraBase Compound ID F1pDizOpn1L
InChI InChI=1S/C11H14O5/c1-5-3-6(11(14)15-2)8-7(12)4-16-10(8)9(5)13/h5-6,8,10H,3-4H2,1-2H3/t5?,6-,8+,10-/m0/s1
InChIKey WKXGVYMEZUYQAC-HEDCZGLMSA-N
Mol Weight 226.23 g/mol
Molecular Formula C11H14O5
Exact Mass 226.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76D7TzkrvZU
Name (3aS,4S,7aS)-6-Methyl-3,7-dioxo-octahydro-benzofuran-4-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O5
InChI InChI=1S/C11H14O5/c1-5-3-6(11(14)15-2)8-7(12)4-16-10(8)9(5)13/h5-6,8,10H,3-4H2,1-2H3/t5?,6-,8+,10-/m0/s1
InChIKey WKXGVYMEZUYQAC-HEDCZGLMSA-N
Molecular Weight 226.228 g/mol
SMILES [C@]12([C@]([C@](CC(C2=O)C)(C(=O)OC)[H])(C(=O)CO1)[H])[H]
SPLASH splash10-014j-0900000000-2c1b99274bf6ab5d81d4
Source of Spectrum C-117-1925-24
Synonyms Methyl octahydro-6-methyl-3,7-dioxobenzofuran-4-carboxylate
Wiley ID 1697542