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1,3,4,6-Pentalenetetracarboxylic acid, 3a-(2-carboxyethyl)octahydro-2,5-dioxo-, 1,3,4,6-tetramethyl ester
SpectraBase Compound ID 9e0HWF30vwo
InChI InChI=1S/C19H22O12/c1-28-15(24)8-10-9(16(25)29-2)14(23)12(18(27)31-4)19(10,6-5-7(20)21)11(13(8)22)17(26)30-3/h8-12H,5-6H2,1-4H3,(H,20,21)
InChIKey XIIXLXKBHBTMMA-UHFFFAOYSA-N
Mol Weight 442.37 g/mol
Molecular Formula C19H22O12
Exact Mass 442.111126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMuSkvD551V
Name 1,3,4,6-Pentalenetetracarboxylic acid, 3a-(2-carboxyethyl)octahydro-2,5-dioxo-, 1,3,4,6-tetramethyl ester
CAS Registry Number 62939-55-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O12
InChI InChI=1S/C19H22O12/c1-28-15(24)8-10-9(16(25)29-2)14(23)12(18(27)31-4)19(10,6-5-7(20)21)11(13(8)22)17(26)30-3/h8-12H,5-6H2,1-4H3,(H,20,21)
InChIKey XIIXLXKBHBTMMA-UHFFFAOYSA-N
Molecular Weight 442.373 g/mol
SMILES OC(CCC12C(C(=O)C(C1C(C(=O)OC)C(C2C(=O)OC)=O)C(=O)OC)C(=O)OC)=O
SPLASH splash10-0f89-0009000000-77606b98080db874778b
Source of Spectrum F-37-4537-0
Synonyms 3-(1,3,4,6-tetrakis(methoxycarbonyl)-2,5-dioxohexahydro-3a(1H)-pentalenyl)propanoic acid Tetramethyl-1,3'-propanoic acid bicyclo[3.3.0]octane-3,7-dione 2,4,6,8-tetracarboxylate
Wiley ID 1385201