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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 4niU22nJu2i
Name 2-(8-ADAMANTAN-1-YL-8-OXOOCTYL)ISOINDOLE-1,3-DIONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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 407.2452
SMILES [C@]12(C[C@@]3(C[C@@](CC(C(CCCCCCCN4C(=O)c5ccccc5C4=O)=O)(C3)C1)(C2)[H])[H])[H]
SPLASH splash10-000i-3910000000-edf7531460aad3a77985
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany