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2-[4-(2,6-Dimethylphenoxy) butan-2-yl]-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 19Nti8bgJsn
InChI InChI=1S/C20H21NO3/c1-13-7-6-8-14(2)18(13)24-12-11-15(3)21-19(22)16-9-4-5-10-17(16)20(21)23/h4-10,15H,11-12H2,1-3H3
InChIKey MXYLGTKTXMOZOE-UHFFFAOYSA-N
Mol Weight 323.39 g/mol
Molecular Formula C20H21NO3
Exact Mass 323.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1yTGlwyBEG
Name 2-[4-(2,6-Dimethylphenoxy) butan-2-yl]-1H-isoindole-1,3(2H)-dione
Appearance Colorless oil
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Formula C20H21NO3
InChI InChI=1S/C20H21NO3/c1-13-7-6-8-14(2)18(13)24-12-11-15(3)21-19(22)16-9-4-5-10-17(16)20(21)23/h4-10,15H,11-12H2,1-3H3
InChIKey MXYLGTKTXMOZOE-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890-5973 MSD
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.202100496
Molecular Weight 323.392 g/mol
SMILES c1c(c(c(cc1)C)OCCC(N1C(c2c(C1=O)cccc2)=O)C)C
SPLASH splash10-0uk9-1980000000-7e98cbc01ae0d372f749
Source of Spectrum CMC-16-SM25-20
Wiley ID 1867457