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4N-ACETYLAMINO-5,7-DI-N-HEXYL-CIS-3A,4,7,7A-TETRAHYDROISOINDOLE-1,3-DIONE
SpectraBase Compound ID EWA6VlAZ3bz
InChI InChI=1S/C22H36N2O3/c1-4-6-8-10-12-16-14-17(13-11-9-7-5-2)20(23-15(3)25)19-18(16)21(26)24-22(19)27/h14,16,18-20H,4-13H2,1-3H3,(H,23,25)(H,24,26,27)/t16-,18-,19-,20+/m0/s1
InChIKey VJZUZTXYTLOIDK-FRYIKTPZSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H36N2O3
Exact Mass 376.272593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HXoVU3tmMyH
Name 4N-ACETYLAMINO-5,7-DI-N-HEXYL-CIS-3A,4,7,7A-TETRAHYDROISOINDOLE-1,3-DIONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H36N2O3
InChI InChI=1S/C22H36N2O3/c1-4-6-8-10-12-16-14-17(13-11-9-7-5-2)20(23-15(3)25)19-18(16)21(26)24-22(19)27/h14,16,18-20H,4-13H2,1-3H3,(H,23,25)(H,24,26,27)/t16-,18-,19-,20+/m0/s1
InChIKey VJZUZTXYTLOIDK-FRYIKTPZSA-N
Literature Reference Author H.NEUMANN,A.J.V.WANGELIN,D.GOERDES,A.SPANNENBERG,M.BELLER
Literature Reference Citation J.AM.CHEM.SOC.,123,8398(2001)
Literature Reference DOI 10.1021/ja010503k
Molecular Weight 376.539 g/mol
Solvent Unknown
Source File Reference UWLU33282