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Pentanedioic acid, 3-(hexahydro-2,5-dioxo-3a(1H)-pentalenyl)-, cis-
SpectraBase Compound ID KzGHYtFn0kr
InChI InChI=1S/C13H16O6/c14-9-1-7-2-10(15)6-13(7,5-9)8(3-11(16)17)4-12(18)19/h7-8H,1-6H2,(H,16,17)(H,18,19)
InChIKey SOHYNOCTFLZHLE-UHFFFAOYSA-N
Mol Weight 268.26 g/mol
Molecular Formula C13H16O6
Exact Mass 268.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KVGxisvip97
Name Pentanedioic acid, 3-(hexahydro-2,5-dioxo-3a(1H)-pentalenyl)-, cis-
CAS Registry Number 67490-03-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O6
InChI InChI=1S/C13H16O6/c14-9-1-7-2-10(15)6-13(7,5-9)8(3-11(16)17)4-12(18)19/h7-8H,1-6H2,(H,16,17)(H,18,19)
InChIKey SOHYNOCTFLZHLE-UHFFFAOYSA-N
Molecular Weight 268.265 g/mol
SMILES OC(CC(CC(=O)O)C12C(CC(C2)=O)CC(C1)=O)=O
SPLASH splash10-0gx3-0590000000-f9bfbc095fe31e26ee6a
Source of Spectrum F-37-4539-0
Synonyms 1-{bis(carboxymethyl)methyl}bicyclo[3.3.0]octane-3,7-dione 3-(2,5-dioxohexahydro-3a(1H)-pentalenyl)pentanedioic acid
Wiley ID 1271839