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cis,cis-5-(4-Methoxybenzyl)-1-(methoxycarbonyl)-3-phthalimidomethylcyclohexane
SpectraBase Compound ID sm5UnHbjED
InChI InChI=1S/C25H27NO5/c1-30-20-9-7-16(8-10-20)11-17-12-18(14-19(13-17)25(29)31-2)15-26-23(27)21-5-3-4-6-22(21)24(26)28/h3-10,17-19H,11-15H2,1-2H3/t17-,18+,19-/m1/s1
InChIKey GCTKSAZRLIXXAK-CEXWTWQISA-N
Mol Weight 421.49 g/mol
Molecular Formula C25H27NO5
Exact Mass 421.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bqEQ2qH3iF
Name cis,cis-5-(4-Methoxybenzyl)-1-(methoxycarbonyl)-3-phthalimidomethylcyclohexane
Alternate Name(s) Methyl 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-5-(4-methoxybenzyl)cyclohexanecarboxylate
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Formula C25H27NO5
InChI InChI=1S/C25H27NO5/c1-30-20-9-7-16(8-10-20)11-17-12-18(14-19(13-17)25(29)31-2)15-26-23(27)21-5-3-4-6-22(21)24(26)28/h3-10,17-19H,11-15H2,1-2H3/t17-,18+,19-/m1/s1
InChIKey GCTKSAZRLIXXAK-CEXWTWQISA-N
Molecular Weight 421.493 g/mol
SMILES C1(N(C(c2ccccc12)=O)C[C@@]1(C[C@](C(=O)OC)(C[C@@](C1)(Cc1ccc(cc1)OC)[H])[H])[H])=O
SPLASH splash10-0fba-6900000000-c054d0cb277633dee3d4
Source of Spectrum F-53-12502-13
Wiley ID 803581