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1H-Isoindole-1,3(2H)-dione, 2-[4-(4,4-dimethyl-2,6-dioxocyclohexyliden)-4-(heptylamino)butyl]-
SpectraBase Compound ID JXMZK3CaB1C
InChI InChI=1S/C27H36N2O4/c1-4-5-6-7-10-15-28-21(24-22(30)17-27(2,3)18-23(24)31)14-11-16-29-25(32)19-12-8-9-13-20(19)26(29)33/h8-9,12-13,28H,4-7,10-11,14-18H2,1-3H3
InChIKey FSGFNNJFKQHZCN-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C27H36N2O4
Exact Mass 452.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K937dbK4Ooi
Name 1H-Isoindole-1,3(2H)-dione, 2-[4-(4,4-dimethyl-2,6-dioxocyclohexyliden)-4-(heptylamino)butyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36N2O4
InChI InChI=1S/C27H36N2O4/c1-4-5-6-7-10-15-28-21(24-22(30)17-27(2,3)18-23(24)31)14-11-16-29-25(32)19-12-8-9-13-20(19)26(29)33/h8-9,12-13,28H,4-7,10-11,14-18H2,1-3H3
InChIKey FSGFNNJFKQHZCN-UHFFFAOYSA-N
Molecular Weight 452.595 g/mol
SMILES N(C(=C1C(CC(CC1=O)(C)C)=O)CCCN1C(c2ccccc2C1=O)=O)CCCCCCC
SPLASH splash10-0006-9760000000-663a8eeb38f3eb6dd8bf
Source of Spectrum IY-1-4485-5
Synonyms 2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-(heptylamino)butyl]isoindole-1,3-dione 2-[4-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-4-(heptylamino)butyl]isoindoline-1,3-dione 2-[4-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-4-(heptylamino)butyl]isoindole-1,3-dione
Wiley ID 1652838