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4-((6-oxo-2,3-diphenyl-1,2-dihydro-1,2,4-triazin-5(6H)-ylidene) methyl) phenyl benzoate
SpectraBase Compound ID KTxIbk5perU
InChI InChI=1S/C29H21N3O3/c33-28-26(20-21-16-18-25(19-17-21)35-29(34)23-12-6-2-7-13-23)30-27(22-10-4-1-5-11-22)32(31-28)24-14-8-3-9-15-24/h1-20H,(H,31,33)
InChIKey PTMMHRTYAQLHDV-UHFFFAOYSA-N
Mol Weight 459.51 g/mol
Molecular Formula C29H21N3O3
Exact Mass 459.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hfz0JiMUA0w
Name 4-((6-oxo-2,3-diphenyl-1,2-dihydro-1,2,4-triazin-5(6H)-ylidene) methyl) phenyl benzoate
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H21N3O3
InChI InChI=1S/C29H21N3O3/c33-28-26(20-21-16-18-25(19-17-21)35-29(34)23-12-6-2-7-13-23)30-27(22-10-4-1-5-11-22)32(31-28)24-14-8-3-9-15-24/h1-20H,(H,31,33)
InChIKey PTMMHRTYAQLHDV-UHFFFAOYSA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3139
Molecular Weight 459.505 g/mol
SMILES N1C(C(N=C(N1c1ccccc1)c1ccccc1)=Cc1ccc(OC(=O)c2ccccc2)cc1)=O
SPLASH splash10-0a4i-0003900000-cfefd24fc665c4e595b3
Source of Spectrum Y-55-1099-23
Wiley ID 1879144