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3a-(dioxidanyl)-6,9a-dimethyl-2-oxidanylidene-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylic acid
SpectraBase Compound ID DMHMinQDhEL
InChI InChI=1S/C15H20O6/c1-13-5-3-6-14(2,12(17)18)9(13)4-7-15(21-19)10(13)8-11(16)20-15/h8-9,19H,3-7H2,1-2H3,(H,17,18)
InChIKey KRBDHVJRMGNKLS-UHFFFAOYSA-N
Mol Weight 296.32 g/mol
Molecular Formula C15H20O6
Exact Mass 296.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKncpsksvzJ
Name 3a-(dioxidanyl)-6,9a-dimethyl-2-oxidanylidene-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylic acid
CAS Registry Number 81801-25-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O6
InChI InChI=1S/C15H20O6/c1-13-5-3-6-14(2,12(17)18)9(13)4-7-15(21-19)10(13)8-11(16)20-15/h8-9,19H,3-7H2,1-2H3,(H,17,18)
InChIKey KRBDHVJRMGNKLS-UHFFFAOYSA-N
Molecular Weight 296.319 g/mol
SMILES OOC12C(C3(C(C(C(=O)O)(CCC3)C)CC1)C)=CC(O2)=O
SPLASH splash10-00di-0940000000-55dc893981d9157efcd8
Source of Spectrum B-35-188-0
Synonyms 3a-hydroperoxy-2-keto-6,9a-dimethyl-4,5,5a,7,8,9-hexahydrobenzo[e]benzofuran-6-carboxylic acid 3a-hydroperoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e]benzofuran-6-carboxylic acid 3a-hydroperoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylic acid
Wiley ID 1298861