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Cyclopent[f]isoindole-4,6,6(1H)-tricarboxylic acid, 2,3,3a,4,5,7,8,8a-octahydro-1,3-dioxo-2-phenyl-, trimethyl ester, (3a.alpha.,4.beta.,8a.alpha.)-
SpectraBase Compound ID KM4RmnnIO5K
InChI InChI=1S/C23H23NO8/c1-30-20(27)17-15-11-23(21(28)31-2,22(29)32-3)10-12(15)9-14-16(17)19(26)24(18(14)25)13-7-5-4-6-8-13/h4-8,14,16-17H,9-11H2,1-3H3/t14-,16-,17+/m0/s1
InChIKey VBBORMQSGGYGNH-BHYGNILZSA-N
Mol Weight 441.44 g/mol
Molecular Formula C23H23NO8
Exact Mass 441.142367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25ZIuqe9y6E
Name Cyclopent[f]isoindole-4,6,6(1H)-tricarboxylic acid, 2,3,3a,4,5,7,8,8a-octahydro-1,3-dioxo-2-phenyl-, trimethyl ester, (3a.alpha.,4.beta.,8a.alpha.)-
CAS Registry Number 118453-31-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23NO8
InChI InChI=1S/C23H23NO8/c1-30-20(27)17-15-11-23(21(28)31-2,22(29)32-3)10-12(15)9-14-16(17)19(26)24(18(14)25)13-7-5-4-6-8-13/h4-8,14,16-17H,9-11H2,1-3H3/t14-,16-,17+/m0/s1
InChIKey VBBORMQSGGYGNH-BHYGNILZSA-N
Molecular Weight 441.436 g/mol
SMILES C1(N(C([C@]2(CC=3CC(CC3[C@]([C@@]12[H])(C(=O)OC)[H])(C(=O)OC)C(=O)OC)[H])=O)c1ccccc1)=O
SPLASH splash10-001l-9200300000-6766d240bc83ee943861
Source of Spectrum F-44-2047-33
Synonyms 5,5,6,6-(tetramethylcarbonyl)-1,3-dioxy-2(n)-phenyl(bicyclo[4.3.0]non-3a-eno)[5,6-c]tetrahydropyrrole Trimethyl (3aS,4S,8aS)-1,3-dioxo-2-phenyl-2,3,3a,4,5,7,8,8a-octahydrocyclopenta[f]isoindole-4,6,6(1H)-tricarboxylate
Wiley ID 1385051