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2,6-Dihexyl-trans-7,8-dimethyl-7,8-dihydroazepino[3,4-f]isoindole-1,3,5,9(2H,6H)-tetraone
SpectraBase Compound ID 2lP8tEjBBLN
InChI InChI=1S/C26H36N2O4/c1-5-7-9-11-13-27-18(4)17(3)23(29)19-15-21-22(16-20(19)24(27)30)26(32)28(25(21)31)14-12-10-8-6-2/h15-18H,5-14H2,1-4H3/t17-,18-/m1/s1
InChIKey PSJIPRVQBXOWML-QZTJIDSGSA-N
Mol Weight 440.6 g/mol
Molecular Formula C26H36N2O4
Exact Mass 440.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5kK5pfxxNl
Name 2,6-Dihexyl-trans-7,8-dimethyl-7,8-dihydroazepino[3,4-f]isoindole-1,3,5,9(2H,6H)-tetraone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36N2O4
InChI InChI=1S/C26H36N2O4/c1-5-7-9-11-13-27-18(4)17(3)23(29)19-15-21-22(16-20(19)24(27)30)26(32)28(25(21)31)14-12-10-8-6-2/h15-18H,5-14H2,1-4H3/t17-,18-/m1/s1
InChIKey PSJIPRVQBXOWML-QZTJIDSGSA-N
Molecular Weight 440.584 g/mol
SMILES C1(N(C(c2cc3C(N([C@@]([C@](C(c3cc12)=O)(C)[H])(C)[H])CCCCCC)=O)=O)CCCCCC)=O
SPLASH splash10-0a4l-9101000000-7b31266b8269b9bf9e64
Source of Spectrum AJ-65-2877-12
Synonyms (7R,8R)-2,6-dihexyl-7,8-dimethyl-7,8-dihydroazepino[3,4-f]isoindole-1,3,5,9(2H,6H)-tetrone
Wiley ID 771825