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2-[8-(1-Adamantyl)-8-oxooctyl]-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID EWozFeCaYJ
InChI InChI=1S/C26H33NO3/c28-23(26-15-18-12-19(16-26)14-20(13-18)17-26)10-4-2-1-3-7-11-27-24(29)21-8-5-6-9-22(21)25(27)30/h5-6,8-9,18-20H,1-4,7,10-17H2/t18-,19+,20-,26-
InChIKey DLKNADFOHWILJY-VTTXJZCFSA-N
Mol Weight 407.6 g/mol
Molecular Formula C26H33NO3
Exact Mass 407.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EfV7sujXnF
Name 2-[8-(1-Adamantyl)-8-oxooctyl]-1H-isoindole-1,3(2H)-dione
Alternate Name(s) 2-(8-Adamantan-1-yl-8-oxo-octyl)-isoindole-1,3-dione 2-[8-(1-adamantyl)-8-keto-octyl]isoindoline-1,3-quinone 2-[8-(1-adamantyl)-8-oxidanylidene-octyl]isoindole-1,3-dione 2-[8-(1-adamantyl)-8-oxo-octyl]isoindoline-1,3-dione 2-[8-(1-adamantyl)-8-oxooctyl]isoindole-1,3-dione
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Formula C26H33NO3
InChI InChI=1S/C26H33NO3/c28-23(26-15-18-12-19(16-26)14-20(13-18)17-26)10-4-2-1-3-7-11-27-24(29)21-8-5-6-9-22(21)25(27)30/h5-6,8-9,18-20H,1-4,7,10-17H2/t18-,19+,20-,26-
InChIKey DLKNADFOHWILJY-VTTXJZCFSA-N
Molecular Weight 407.554 g/mol
SMILES C1(N(C(c2ccccc12)=O)CCCCCCCC(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O)=O
SPLASH splash10-000i-3910000000-fbc82cf8acea7f0097e9
Source of Spectrum CM-1999-19204-0
Wiley ID 481558