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Cyclopent[f]isoindole-6-carboxylic acid, 1,2,3,3a,4,5,6,7,8,8a-decahydro-5,5-dimethyl-1,3-dioxo-2-phenyl-, methyl ester, (3a.alpha.,6.alpha.,8a.alpha.)-
SpectraBase Compound ID 571CUSLLgbU
InChI InChI=1S/C21H23NO4/c1-21(2)16-11-15-14(9-12(16)10-17(21)20(25)26-3)18(23)22(19(15)24)13-7-5-4-6-8-13/h4-8,14-15,17H,9-11H2,1-3H3/t14-,15+,17+/m0/s1
InChIKey UFWPFDXCQHRBPT-ZMSDIMECSA-N
Mol Weight 353.42 g/mol
Molecular Formula C21H23NO4
Exact Mass 353.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYjhvFXS2vB
Name Cyclopent[f]isoindole-6-carboxylic acid, 1,2,3,3a,4,5,6,7,8,8a-decahydro-5,5-dimethyl-1,3-dioxo-2-phenyl-, methyl ester, (3a.alpha.,6.alpha.,8a.alpha.)-
CAS Registry Number 118453-27-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO4
InChI InChI=1S/C21H23NO4/c1-21(2)16-11-15-14(9-12(16)10-17(21)20(25)26-3)18(23)22(19(15)24)13-7-5-4-6-8-13/h4-8,14-15,17H,9-11H2,1-3H3/t14-,15+,17+/m0/s1
InChIKey UFWPFDXCQHRBPT-ZMSDIMECSA-N
Molecular Weight 353.418 g/mol
SMILES C1(N(C([C@@]2(CC=3C([C@](CC3C[C@]12[H])(C(=O)OC)[H])(C)C)[H])=O)c1ccccc1)=O
SPLASH splash10-0ugu-2349000000-f51661c0464bea000103
Source of Spectrum F-44-2047-33
Synonyms 4-Methyl-6-methylcarboxy-1,3-dioxy-2(n)-phenyl(bicyclo[4.3.0]non-3a-eno)[5,6-c]tetrahydropyrrole Methyl (3aR,6S,8aS)-5,5-dimethyl-1,3-dioxo-2-phenyl-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclopenta[f]isoindole-6-carboxylate
Wiley ID 1344025