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4,13:7,10-Diethenocyclododeca[c]furan-8,9-dicarboxylic acid, 1,3,5,6,11,12-hexahydro-1,3-dioxo-, dimethyl ester, radical ion(1-), stereoisomer

View entire compound with spectra: 1 MS (GC)

4,13:7,10-Diethenocyclododeca[c]furan-8,9-dicarboxylic acid, 1,3,5,6,11,12-hexahydro-1,3-dioxo-, dimethyl ester, radical ion(1-), stereoisomer
SpectraBase Compound ID C2w00Fua2GV
InChI InChI=1S/C22H18O7/c1-27-19(23)15-11-3-4-12(16(15)20(24)28-2)6-8-14-10-9-13(7-5-11)17-18(14)22(26)29-21(17)25/h3-4,9-10H,5-8H2,1-2H3
InChIKey OGGRCJBZEZXCDT-UHFFFAOYSA-N
Mol Weight 394.38 g/mol
Molecular Formula C22H18O7
Exact Mass 394.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EhdIW8si5Zd
Name 4,13:7,10-Diethenocyclododeca[c]furan-8,9-dicarboxylic acid, 1,3,5,6,11,12-hexahydro-1,3-dioxo-, dimethyl ester, radical ion(1-), stereoisomer
Alternate Name(s) 12,13-bis(methoxycarbonyl)[2.2]paracyclophan-4,5-dicarboxylic acid-anhydride Anhydride of 12,13-bis(methoxycarbonyl)[2.2]paracyclophan-4,5-dicarboxylic acid Dimethyl 12,14-dioxo-13-oxatetracyclo[8.5.2.2(4,7).0(11,15)]nonadeca-1(15),4,6,10,16,18-hexaene-5,6-dicarboxylate
CAS Registry Number 73171-61-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18O7
InChI InChI=1S/C22H18O7/c1-27-19(23)15-11-3-4-12(16(15)20(24)28-2)6-8-14-10-9-13(7-5-11)17-18(14)22(26)29-21(17)25/h3-4,9-10H,5-8H2,1-2H3
InChIKey OGGRCJBZEZXCDT-UHFFFAOYSA-N
Molecular Weight 394.379 g/mol
SMILES C1(OC(=O)c2c1c1CCc3c(c(C(=O)OC)c(CCc2cc1)cc3)C(=O)OC)=O
SPLASH splash10-05fu-0295000000-99bdc35f91184eb2aeaa
Source of Spectrum K-113-540-0
Wiley ID 1366622