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2-(1-Methylbut-3-ynyl)isoindoline-1,3-dione

View entire compound with spectra: 1 MS (GC)

2-(1-Methylbut-3-ynyl)isoindoline-1,3-dione
SpectraBase Compound ID 4Lm7xNYbqQv
InChI InChI=1S/C13H11NO2/c1-3-6-9(2)14-12(15)10-7-4-5-8-11(10)13(14)16/h1,4-5,7-9H,6H2,2H3
InChIKey ITWJDWMHWRPGRX-UHFFFAOYSA-N
Mol Weight 213.24 g/mol
Molecular Formula C13H11NO2
Exact Mass 213.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KIO8Bv34BWJ
Name 2-(1-Methylbut-3-ynyl)isoindoline-1,3-dione
Alternate Name(s) 2-(1-Methylbut-3-ynyl)isoindoline-1,3-quinone 2-Pent-4-yn-2-ylisoindole-1,3-dione
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Formula C13H11NO2
InChI InChI=1S/C13H11NO2/c1-3-6-9(2)14-12(15)10-7-4-5-8-11(10)13(14)16/h1,4-5,7-9H,6H2,2H3
InChIKey ITWJDWMHWRPGRX-UHFFFAOYSA-N
Molecular Weight 213.236 g/mol
SMILES C1(N(C(c2ccccc12)=O)C(CC#C)C)=O
SPLASH splash10-00e9-1900000000-9e28c87f84e12f49c977
Source of Spectrum K1-2004-3452-1
Wiley ID 1561330