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1H-Isoindole-1,3(2H)-dione, 2-(3-phenyl-2-propynyl)-
SpectraBase Compound ID 8stacUFfEBt
InChI InChI=1S/C17H11NO2/c19-16-14-10-4-5-11-15(14)17(20)18(16)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,12H2
InChIKey QRHYSSAEQODXJW-UHFFFAOYSA-N
Mol Weight 261.28 g/mol
Molecular Formula C17H11NO2
Exact Mass 261.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7selbRI1tko
Name 1H-Isoindole-1,3(2H)-dione, 2-(3-phenyl-2-propynyl)-
CAS Registry Number 4656-94-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11NO2
InChI InChI=1S/C17H11NO2/c19-16-14-10-4-5-11-15(14)17(20)18(16)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,12H2
InChIKey QRHYSSAEQODXJW-UHFFFAOYSA-N
Molecular Weight 261.280 g/mol
SMILES C1(N(C(c2ccccc12)=O)CC#Cc1ccccc1)=O
SPLASH splash10-03e9-0490000000-026143ec44009136b258
Source of Spectrum B-41-1205-1
Synonyms 2-(3-phenyl-2-propynyl)-1H-isoindole-1,3(2H)-dione 2-(3-phenylprop-2-ynyl)isoindole-1,3-dione 2-(3-phenylprop-2-ynyl)isoindoline-1,3-dione 2-(3-phenylprop-2-ynyl)isoindoline-1,3-quinone
Wiley ID 1264996