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2,5-Diketo-6a-phenyl-3,3a,4,6-tetrahydro-1H-pentalene-1,3,4,6-tetracarboxylic acid tetramethyl ester
SpectraBase Compound ID AjRWurOIDo6
InChI InChI=1S/C22H22O10/c1-29-18(25)11-13-12(19(26)30-2)17(24)15(21(28)32-4)22(13,10-8-6-5-7-9-10)14(16(11)23)20(27)31-3/h5-9,11-15H,1-4H3
InChIKey OYJVGUZNRQCQMC-UHFFFAOYSA-N
Mol Weight 446.41 g/mol
Molecular Formula C22H22O10
Exact Mass 446.121297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnMRZwyNeps
Name 2,5-Diketo-6a-phenyl-3,3a,4,6-tetrahydro-1H-pentalene-1,3,4,6-tetracarboxylic acid tetramethyl ester
CAS Registry Number 60428-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O10
InChI InChI=1S/C22H22O10/c1-29-18(25)11-13-12(19(26)30-2)17(24)15(21(28)32-4)22(13,10-8-6-5-7-9-10)14(16(11)23)20(27)31-3/h5-9,11-15H,1-4H3
InChIKey OYJVGUZNRQCQMC-UHFFFAOYSA-N
Molecular Weight 446.408 g/mol
SMILES C12(C(C(=O)C(C1C(C(=O)OC)C(C2C(=O)OC)=O)C(=O)OC)C(=O)OC)c1ccccc1
SPLASH splash10-0ulr-0029100000-fd97dd81b67af1608572
Source of Spectrum J-41-4057-0
Synonyms 2,5-Dioxo-6a-phenyl-3,3a,4,6-tetrahydro-1H-pentalene-1,3,4,6-tetracarboxylic acid tetramethyl ester Tetramethyl 2,5-bis(oxidanylidene)-6a-phenyl-3,3a,4,6-tetrahydro-1H-pentalene-1,3,4,6-tetracarboxylate Tetramethyl 2,5-dioxo-6a-phenyl-3,3a,4,6-tetrahydro-1H-pentalene-1,3,4,6-tetracarboxylate
Wiley ID 1386530