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2-(2-(5-Oxo-2-phenyl-2,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl)isoindoline-1,3-dione
SpectraBase Compound ID HOqxdO21OQE
InChI InChI=1S/C22H14N4O3/c27-20-15-10-4-5-11-16(15)21(28)25(20)18-13-7-6-12-17(18)19-23-22(29)24-26(19)14-8-2-1-3-9-14/h1-13H,(H,24,29)
InChIKey LDMJPXHDINCEJJ-UHFFFAOYSA-N
Mol Weight 382.38 g/mol
Molecular Formula C22H14N4O3
Exact Mass 382.10659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GchuFCMoho
Name 2-(2-(5-Oxo-2-phenyl-2,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl)isoindoline-1,3-dione
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14N4O3
InChI InChI=1S/C22H14N4O3/c27-20-15-10-4-5-11-16(15)21(28)25(20)18-13-7-6-12-17(18)19-23-22(29)24-26(19)14-8-2-1-3-9-14/h1-13H,(H,24,29)
InChIKey LDMJPXHDINCEJJ-UHFFFAOYSA-N
Instrument Name Kratos Model MS 25 (Magnetic Sector) or HP Model MS-5988
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2287
Molecular Weight 382.379 g/mol
SMILES N1N(C(=NC1=O)c1c(N2C(c3c(cccc3)C2=O)=O)cccc1)c1ccccc1
SPLASH splash10-004l-9244000000-73a6e551c38f1b205e45
Source of Spectrum Y-53-491-17
Wiley ID 1877615