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1,1,3,3(2H,3aH)-Pentalenetetracarboxylic acid, tetrahydro-5-oxo-, tetramethyl ester
SpectraBase Compound ID AQTUaZtTDVu
InChI InChI=1S/C16H20O9/c1-22-11(18)15(12(19)23-2)7-16(13(20)24-3,14(21)25-4)10-6-8(17)5-9(10)15/h9-10H,5-7H2,1-4H3
InChIKey DGGRAMHRLBKSLE-UHFFFAOYSA-N
Mol Weight 356.33 g/mol
Molecular Formula C16H20O9
Exact Mass 356.110732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WeswQDB03N
Name 1,1,3,3(2H,3aH)-Pentalenetetracarboxylic acid, tetrahydro-5-oxo-, tetramethyl ester
Alternate Name(s) Tetramethyl 5-oxotetrahydro-1,1,3,3(2H,3aH)-pentalenetetracarboxylate Tetramethyl ester of 7-oxobicyclo[3.3.0]octane-2,2,4,4-tetracarboxylic acid
CAS Registry Number 82031-46-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O9
InChI InChI=1S/C16H20O9/c1-22-11(18)15(12(19)23-2)7-16(13(20)24-3,14(21)25-4)10-6-8(17)5-9(10)15/h9-10H,5-7H2,1-4H3
InChIKey DGGRAMHRLBKSLE-UHFFFAOYSA-N
Molecular Weight 356.327 g/mol
SMILES C1(C2C(CC(C2)=O)C(C1)(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC
SPLASH splash10-01rt-0895000000-4d030572e4557ca0b276
Source of Spectrum K-115-1444-0
Wiley ID 1345577