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2-[2-(Phenylethynyl)-1-aziridinyl]-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 5EbNC5767KA
InChI InChI=1S/C18H12N2O2/c21-17-15-8-4-5-9-16(15)18(22)20(17)19-12-14(19)11-10-13-6-2-1-3-7-13/h1-9,14H,12H2
InChIKey RZALEZGYCNPSGB-UHFFFAOYSA-N
Mol Weight 288.31 g/mol
Molecular Formula C18H12N2O2
Exact Mass 288.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MpDBvoor2
Name 2-[2-(Phenylethynyl)-1-aziridinyl]-1H-isoindole-1,3(2H)-dione
CAS Registry Number 124475-74-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12N2O2
InChI InChI=1S/C18H12N2O2/c21-17-15-8-4-5-9-16(15)18(22)20(17)19-12-14(19)11-10-13-6-2-1-3-7-13/h1-9,14H,12H2
InChIKey RZALEZGYCNPSGB-UHFFFAOYSA-N
Molecular Weight 288.306 g/mol
SMILES c1ccc(C#CC2N(N3C(c4ccccc4C3=O)=O)C2)cc1
SPLASH splash10-0ufr-8920000000-63a78d32ff2d751dbff1
Source of Spectrum AD-0-2532-0
Synonyms 2-[2-(2-phenylethynyl)-1-aziridinyl]isoindole-1,3-dione 2-[2-(2-phenylethynyl)aziridin-1-yl]isoindole-1,3-dione 2-[2-(2-phenylethynyl)aziridin-1-yl]isoindoline-1,3-dione 2-[2-(2-phenylethynyl)ethylenimin-1-yl]isoindoline-1,3-quinone Isoindole-1,3(1H,3H)-dione, 2-[(2-phenylethynyl)aziridin-1-yl]-
Wiley ID 1425425