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2-[4-(2,4-dipentyl-phenoxy)-butyl]-isoindole-1,3-dione

View entire compound with spectra: 1 MS (GC)

2-[4-(2,4-dipentyl-phenoxy)-butyl]-isoindole-1,3-dione
SpectraBase Compound ID Dc0tOxmcHIX
InChI InChI=1S/C28H37NO3/c1-3-5-7-13-22-17-18-26(23(21-22)14-8-6-4-2)32-20-12-11-19-29-27(30)24-15-9-10-16-25(24)28(29)31/h9-10,15-18,21H,3-8,11-14,19-20H2,1-2H3
InChIKey CEXSDXMDNLOCGO-UHFFFAOYSA-N
Mol Weight 435.6 g/mol
Molecular Formula C28H37NO3
Exact Mass 435.277344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3leGKFbXLzM
Name 2-[4-(2,4-dipentyl-phenoxy)-butyl]-isoindole-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H37NO3
InChI InChI=1S/C28H37NO3/c1-3-5-7-13-22-17-18-26(23(21-22)14-8-6-4-2)32-20-12-11-19-29-27(30)24-15-9-10-16-25(24)28(29)31/h9-10,15-18,21H,3-8,11-14,19-20H2,1-2H3
InChIKey CEXSDXMDNLOCGO-UHFFFAOYSA-N
Molecular Weight 435.608 g/mol
SMILES C(CCCN1C(c2ccccc2C1=O)=O)Oc1c(cc(cc1)CCCCC)CCCCC
SPLASH splash10-03di-5920000000-beebffc7690ecfc747fe
Synonyms 2-[4-(2,4-diamylphenoxy)butyl]isoindoline-1,3-quinone 2-[4-(2,4-dipentylphenoxy)butyl]-1H-isoindole-1,3(2H)-dione 2-[4-(2,4-dipentylphenoxy)butyl]isoindoline-1,3-dione
Wiley ID 1438548