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Isoxazolo[5,4-e]indolizine-6,8-dicarboxylic acid, 3a,5a,6,7,8,9a-hexahydro-4-methyl-3-phenyl-, dimethyl ester, (3a.alpha.,5a.beta.,6.alpha.,8.beta.,9a.alpha.)-
SpectraBase Compound ID 7O4fNcBhnA2
InChI InChI=1S/C20H22N2O5/c1-11-9-14-13(19(23)25-2)10-15(20(24)26-3)22(14)18-16(11)17(21-27-18)12-7-5-4-6-8-12/h4-9,13-16,18H,10H2,1-3H3/t13-,14-,15+,16-,18+/m0/s1
InChIKey GAOUKXMBWMGXRU-RNGZQALNSA-N
Mol Weight 370.41 g/mol
Molecular Formula C20H22N2O5
Exact Mass 370.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJc2T4m7I8K
Name Isoxazolo[5,4-e]indolizine-6,8-dicarboxylic acid, 3a,5a,6,7,8,9a-hexahydro-4-methyl-3-phenyl-, dimethyl ester, (3a.alpha.,5a.beta.,6.alpha.,8.beta.,9a.alpha.)-
Alternate Name(s) 1,3-Di(methoxycarbonyl)-6-(p-methoxyphenyl)-7-methyl-1,2,3,3b,6b,8a-hexahydroindolizino[5,6-d]isoxazole Dimethyl (3aS,5aS,6S,8R,9aR)-4-methyl-3-phenyl-3a,5a,6,7,8,9a-hexahydroisoxazolo[5,4-e]indolizine-6,8-dicarboxylate
CAS Registry Number 110258-54-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O5
InChI InChI=1S/C20H22N2O5/c1-11-9-14-13(19(23)25-2)10-15(20(24)26-3)22(14)18-16(11)17(21-27-18)12-7-5-4-6-8-12/h4-9,13-16,18H,10H2,1-3H3/t13-,14-,15+,16-,18+/m0/s1
InChIKey GAOUKXMBWMGXRU-RNGZQALNSA-N
Molecular Weight 370.405 g/mol
SMILES [C@]12(N3[C@@](C=C([C@]2(C(c2ccccc2)=NO1)[H])C)([C@@](C(=O)OC)(C[C@@]3(C(=O)OC)[H])[H])[H])[H]
SPLASH splash10-0ldi-1950000000-fb5b0d66b03cf218630f
Source of Spectrum AJ-59-3634-16
Wiley ID 1354246