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2-[2'-(1"-Adamantyl)-1'-(methoxycarbonylethoxy)]-1,1,3,3-tetramethylisoindoline
SpectraBase Compound ID 6NIUOKqMZXn
InChI InChI=1S/C26H37NO3/c1-24(2)20-8-6-7-9-21(20)25(3,4)27(24)30-22(23(28)29-5)16-26-13-17-10-18(14-26)12-19(11-17)15-26/h6-9,17-19,22H,10-16H2,1-5H3/t17-,18+,19-,22?,26-
InChIKey BSOPLGREEPAJBP-NZBCHGJISA-N
Mol Weight 411.6 g/mol
Molecular Formula C26H37NO3
Exact Mass 411.277344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Wt5wgJGMxE
Name 2-[2'-(1"-Adamantyl)-1'-(methoxycarbonylethoxy)]-1,1,3,3-tetramethylisoindoline
Alternate Name(s) 3-Adamantan-1-yl-2-(1,1,3,3-tetramethyl-1,3-dihydro-isoindol-2-yloxy)-propionic acid methyl ester
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Formula C26H37NO3
InChI InChI=1S/C26H37NO3/c1-24(2)20-8-6-7-9-21(20)25(3,4)27(24)30-22(23(28)29-5)16-26-13-17-10-18(14-26)12-19(11-17)15-26/h6-9,17-19,22H,10-16H2,1-5H3/t17-,18+,19-,22?,26-
InChIKey BSOPLGREEPAJBP-NZBCHGJISA-N
Molecular Weight 411.586 g/mol
SMILES C1(N(C(c2ccccc12)(C)C)OC(C(=O)OC)CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])(C)C
SPLASH splash10-0006-0901000000-36aed8d2f3d47ceb8493
Source of Spectrum C-124-9497-5f
Wiley ID 1700911