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1H-Isoindole-1,3(2H)-dione, 2-heptylhexahydro-3a,7a-bis(phenylmethyl)-, cis-
SpectraBase Compound ID FK3uoKoeab8
InChI InChI=1S/C29H37NO2/c1-2-3-4-5-14-21-30-26(31)28(22-24-15-8-6-9-16-24)19-12-13-20-29(28,27(30)32)23-25-17-10-7-11-18-25/h6-11,15-18H,2-5,12-14,19-23H2,1H3/t28-,29+
InChIKey RACNYEPFHJGSLW-ISILISOKSA-N
Mol Weight 431.6 g/mol
Molecular Formula C29H37NO2
Exact Mass 431.282429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCo1by3nuZm
Name 1H-Isoindole-1,3(2H)-dione, 2-heptylhexahydro-3a,7a-bis(phenylmethyl)-, cis-
CAS Registry Number 64090-39-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H37NO2
InChI InChI=1S/C29H37NO2/c1-2-3-4-5-14-21-30-26(31)28(22-24-15-8-6-9-16-24)19-12-13-20-29(28,27(30)32)23-25-17-10-7-11-18-25/h6-11,15-18H,2-5,12-14,19-23H2,1H3/t28-,29+
InChIKey RACNYEPFHJGSLW-ISILISOKSA-N
Molecular Weight 431.620 g/mol
SMILES [C@]12([C@@](C(=O)N(C2=O)CCCCCCC)(Cc2ccccc2)CCCC1)Cc1ccccc1
SPLASH splash10-0006-9203000000-a0baaf61bd2ac2397705
Source of Spectrum H-60-1468-0
Synonyms (3aR,7aS)-3a,7a-dibenzyl-2-heptylhexahydro-1H-isoindole-1,3(2H)-dione cis-1,2-dibenzyl-N-heptyl-cyclohexane-1,2-dicarboximide
Wiley ID 1382032