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1,3,3a,4,6,6a(1H,4H)-Pentalenehexacarboxylic acid, tetrahydro-2,5-dioxo-, hexamethyl ester
SpectraBase Compound ID 7enRkwvegt1
InChI InChI=1S/C20H22O14/c1-29-13(23)7-11(21)8(14(24)30-2)20(18(28)34-6)10(16(26)32-4)12(22)9(15(25)31-3)19(7,20)17(27)33-5/h7-10H,1-6H3
InChIKey KDJXBMFSIBPTPR-UHFFFAOYSA-N
Mol Weight 486.38 g/mol
Molecular Formula C20H22O14
Exact Mass 486.100955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5eANP9VbvSV
Name 1,3,3a,4,6,6a(1H,4H)-Pentalenehexacarboxylic acid, tetrahydro-2,5-dioxo-, hexamethyl ester
Alternate Name(s) Hexamethyl 2,5-dioxotetrahydro-1,3,3a,4,6,6a(1H,4H)-pentalenehexacarboxylate Hexamethyl cis-3,7-dioxocyclo[3.3.0]octane-1,2,4,5,6,8-hexacarboxylate
CAS Registry Number 91758-61-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O14
InChI InChI=1S/C20H22O14/c1-29-13(23)7-11(21)8(14(24)30-2)20(18(28)34-6)10(16(26)32-4)12(22)9(15(25)31-3)19(7,20)17(27)33-5/h7-10H,1-6H3
InChIKey KDJXBMFSIBPTPR-UHFFFAOYSA-N
Molecular Weight 486.382 g/mol
SMILES C12(C(C(C(=O)OC)C(C2C(=O)OC)=O)(C(C(=O)OC)C(C1C(=O)OC)=O)C(=O)OC)C(=O)OC
SPLASH splash10-0r73-4069100000-5d28fa401d6546293697
Source of Spectrum I-62-1190-0
Wiley ID 1396376