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(3aS,4S,7aR)-6-Methyl-3-oxo-2,3,3a,4,5,7a-hexahydro-benzofuran-4-carboxylic acid methyl ester
SpectraBase Compound ID 19myAyPGMnu
InChI InChI=1S/C11H14O4/c1-6-3-7(11(13)14-2)10-8(12)5-15-9(10)4-6/h4,7,9-10H,3,5H2,1-2H3/t7-,9+,10+/m0/s1
InChIKey IUVJGRSUBVTROL-FXBDTBDDSA-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 AJ7qgR58bsL
Name (3aS,4S,7aR)-6-Methyl-3-oxo-2,3,3a,4,5,7a-hexahydro-benzofuran-4-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O4
InChI InChI=1S/C11H14O4/c1-6-3-7(11(13)14-2)10-8(12)5-15-9(10)4-6/h4,7,9-10H,3,5H2,1-2H3/t7-,9+,10+/m0/s1
InChIKey IUVJGRSUBVTROL-FXBDTBDDSA-N
Molecular Weight 210.229 g/mol
SMILES [C@@]1([C@]2([C@@](C=C(C1)C)(OCC2=O)[H])[H])(C(=O)OC)[H]
SPLASH splash10-0006-9420000000-972c5c84f2e93ed4e0b9
Source of Spectrum C-117-1924-15
Synonyms Methyl 3a,4,5,7a-tetrahydro-6-methyl-3-oxobenzofuran-4-carboxylate
Wiley ID 1697546