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2-[2,2-Dimethyl-3-(phenylethynyl)-1-aziridinyl]-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID Jd66LNXriQm
InChI InChI=1S/C20H16N2O2/c1-20(2)17(13-12-14-8-4-3-5-9-14)22(20)21-18(23)15-10-6-7-11-16(15)19(21)24/h3-11,17H,1-2H3
InChIKey SWNZXVBVWGHHMQ-UHFFFAOYSA-N
Mol Weight 316.36 g/mol
Molecular Formula C20H16N2O2
Exact Mass 316.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eas0QY5ox2
Name 2-[2,2-Dimethyl-3-(phenylethynyl)-1-aziridinyl]-1H-isoindole-1,3(2H)-dione
CAS Registry Number 124475-76-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N2O2
InChI InChI=1S/C20H16N2O2/c1-20(2)17(13-12-14-8-4-3-5-9-14)22(20)21-18(23)15-10-6-7-11-16(15)19(21)24/h3-11,17H,1-2H3
InChIKey SWNZXVBVWGHHMQ-UHFFFAOYSA-N
Molecular Weight 316.360 g/mol
SMILES c1ccc(C#CC2N(N3C(c4ccccc4C3=O)=O)C2(C)C)cc1
SPLASH splash10-00xr-8900000000-23610bc740bbf3d33131
Source of Spectrum AD-0-2532-0
Synonyms 2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziridinyl]isoindole-1,3-dione 2-[2,2-dimethyl-3-(2-phenylethynyl)aziridin-1-yl]isoindole-1,3-dione 2-[2,2-dimethyl-3-(2-phenylethynyl)aziridin-1-yl]isoindoline-1,3-dione 2-[2,2-dimethyl-3-(2-phenylethynyl)ethylenimin-1-yl]isoindoline-1,3-quinone 2H-Isoindole-1,3-dione, 1,3-dihydro-2-[2-(2-phenylethynyl)-3,3-dimethylaziridin-1-yl]-
Wiley ID 1419953