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5,6-Dihexylisoindole-1,3-dione

View entire compound with spectra: 1 MS (GC)

5,6-Dihexylisoindole-1,3-dione
SpectraBase Compound ID 4dyiXYVMlMQ
InChI InChI=1S/C20H29NO2/c1-3-5-7-9-11-15-13-17-18(20(23)21-19(17)22)14-16(15)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3,(H,21,22,23)
InChIKey XPTGAMALLXQASQ-UHFFFAOYSA-N
Mol Weight 315.46 g/mol
Molecular Formula C20H29NO2
Exact Mass 315.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVn2yFTVmP3
Name 5,6-Dihexylisoindole-1,3-dione
Alternate Name(s) 5,6-Dihexylisoindoline-1,3-dione 5,6-Dihexylisoindoline-1,3-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO2
InChI InChI=1S/C20H29NO2/c1-3-5-7-9-11-15-13-17-18(20(23)21-19(17)22)14-16(15)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3,(H,21,22,23)
InChIKey XPTGAMALLXQASQ-UHFFFAOYSA-N
Molecular Weight 315.457 g/mol
SMILES N1C(c2c(C1=O)cc(c(c2)CCCCCC)CCCCCC)=O
SPLASH splash10-00xr-0966000000-7192d8e3af62351208b0
Source of Spectrum U1-2000-309-13
Wiley ID 753824