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2-(5-keto-3-phenyl-1H-1,2,4-triazol-4-yl)isoindoline-1,3-quinone
SpectraBase Compound ID 3YFDiruJ1Mx
InChI InChI=1S/C16H10N4O3/c21-14-11-8-4-5-9-12(11)15(22)20(14)19-13(17-18-16(19)23)10-6-2-1-3-7-10/h1-9H,(H,18,23)
InChIKey BOJJLGMODXVYMJ-UHFFFAOYSA-N
Mol Weight 306.28 g/mol
Molecular Formula C16H10N4O3
Exact Mass 306.07529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MdcSsAKzaO
Name 2-(5-keto-3-phenyl-1H-1,2,4-triazol-4-yl)isoindoline-1,3-quinone
CAS Registry Number 77441-89-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10N4O3
InChI InChI=1S/C16H10N4O3/c21-14-11-8-4-5-9-12(11)15(22)20(14)19-13(17-18-16(19)23)10-6-2-1-3-7-10/h1-9H,(H,18,23)
InChIKey BOJJLGMODXVYMJ-UHFFFAOYSA-N
Molecular Weight 306.281 g/mol
SMILES N1N=C(N(C1=O)N1C(c2ccccc2C1=O)=O)c1ccccc1
SPLASH splash10-0zfr-4903000000-04a8c0f7fa0f7b68fd76
Source of Spectrum Y-17-1695-0
Synonyms 2-(5-oxidanylidene-3-phenyl-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione 2-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione 2-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)isoindoline-1,3-dione
Wiley ID 1307891