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Diethyl 1,1,2,3,3,4-hexamethyl-7-methylene-2,3,4.alpha.,5.alpha.,6.beta.,7-hexahydro-1H-isoindole-5,6-dicarboxylate
SpectraBase Compound ID IK3qvIfiJWa
InChI InChI=1S/C21H33NO4/c1-10-25-18(23)14-12(3)16-17(13(4)15(14)19(24)26-11-2)21(7,8)22(9)20(16,5)6/h13-15H,3,10-11H2,1-2,4-9H3/t13-,14+,15+/m1/s1
InChIKey PHXPQADJZBBEEM-ILXRZTDVSA-N
Mol Weight 363.5 g/mol
Molecular Formula C21H33NO4
Exact Mass 363.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26ksfNhiSPS
Name Diethyl 1,1,2,3,3,4-hexamethyl-7-methylene-2,3,4.alpha.,5.alpha.,6.beta.,7-hexahydro-1H-isoindole-5,6-dicarboxylate
Alternate Name(s) Diethyl (4R,5S,6R)-1,1,2,3,3,4-hexamethyl-7-methylene-2,3,4,5,6,7-hexahydro-1H-isoindole-5,6-dicarboxylate Diethyl 1,1,2,3,3,4-hexamethyl-7-methylene-2,3,4.alpha.,5.alpha.,6.beta.,7-hexahydroindene-1H-isoindole-5,6-dicarboxylate
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Formula C21H33NO4
InChI InChI=1S/C21H33NO4/c1-10-25-18(23)14-12(3)16-17(13(4)15(14)19(24)26-11-2)21(7,8)22(9)20(16,5)6/h13-15H,3,10-11H2,1-2,4-9H3/t13-,14+,15+/m1/s1
InChIKey PHXPQADJZBBEEM-ILXRZTDVSA-N
Molecular Weight 363.498 g/mol
SMILES C12=C(C(C)(C)N(C2(C)C)C)[C@@](C)([H])[C@@]([C@](C1=C)(C(=O)OCC)[H])(C(=O)OCC)[H]
SPLASH splash10-0002-1319000000-9546823de009d0e557d7
Source of Spectrum KB-1992-1406-8
Wiley ID 775714