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2-(3-Ethynylphenyl)-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 2mGjac2JiEJ
InChI InChI=1S/C16H9NO2/c1-2-11-6-5-7-12(10-11)17-15(18)13-8-3-4-9-14(13)16(17)19/h1,3-10H
InChIKey NKDPGIRYKDXFBX-UHFFFAOYSA-N
Mol Weight 247.25 g/mol
Molecular Formula C16H9NO2
Exact Mass 247.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ehq4xOUVHtM
Name 2-(3-Ethynylphenyl)-1H-isoindole-1,3(2H)-dione
CAS Registry Number 73819-73-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9NO2
InChI InChI=1S/C16H9NO2/c1-2-11-6-5-7-12(10-11)17-15(18)13-8-3-4-9-14(13)16(17)19/h1,3-10H
InChIKey NKDPGIRYKDXFBX-UHFFFAOYSA-N
Molecular Weight 247.253 g/mol
SMILES c1c2c(ccc1)C(N(C2=O)c1cc(ccc1)C#C)=O
SPLASH splash10-0ufs-9470000000-2afc33d7b6cc77f942ac
Source of Spectrum AD-0-2532-0
Synonyms 1,3(2H)-Isoindoledione, 2-(3-ethynylphenyl)- 2-(3-Ethynylphenyl)isoindole-1,3-dione 2-(3-Ethynylphenyl)isoindoline-1,3-dione 2-(3-Ethynylphenyl)isoindoline-1,3-quinone
Wiley ID 1423927