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2,5-bis(1'-Acetyl-3'-phenyl-5'-oxo-3',4',5',6'-tetrahydro-1',2',4'-triazin-6'-yl)-N-methylpyrrole
SpectraBase Compound ID 1puWm4M2eBy
InChI InChI=1S/C27H25N7O4/c1-16(35)33-22(26(37)28-24(30-33)18-10-6-4-7-11-18)20-14-15-21(32(20)3)23-27(38)29-25(31-34(23)17(2)36)19-12-8-5-9-13-19/h4-15,22-23H,1-3H3,(H,28,30,37)(H,29,31,38)
InChIKey YKNPIJFCOMLPOJ-UHFFFAOYSA-N
Mol Weight 511.54 g/mol
Molecular Formula C27H25N7O4
Exact Mass 511.196802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID u8q75D5EFd
Name 2,5-bis(1'-Acetyl-3'-phenyl-5'-oxo-3',4',5',6'-tetrahydro-1',2',4'-triazin-6'-yl)-N-methylpyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25N7O4
InChI InChI=1S/C27H25N7O4/c1-16(35)33-22(26(37)28-24(30-33)18-10-6-4-7-11-18)20-14-15-21(32(20)3)23-27(38)29-25(31-34(23)17(2)36)19-12-8-5-9-13-19/h4-15,22-23H,1-3H3,(H,28,30,37)(H,29,31,38)
InChIKey YKNPIJFCOMLPOJ-UHFFFAOYSA-N
Molecular Weight 511.542 g/mol
SMILES N1C(=NC(C(c2[n](c(C3N(NC(=NC3=O)c3ccccc3)C(=O)C)cc2)C)N1C(=O)C)=O)c1ccccc1
SPLASH splash10-0o6r-1353940000-8c103e3ce84b21ce7a9c
Source of Spectrum Y-34-1018-7
Synonyms 1-Acetyl-6-[5-(1-acetyl-5-oxo-3-phenyl-2,6-dihydro-1,2,4-triazin-6-yl)-1-methyl-2-pyrrolyl]-3-phenyl-2,6-dihydro-1,2,4-triazin-5-one 1-Acetyl-6-[5-(1-acetyl-5-oxo-3-phenyl-2,6-dihydro-1,2,4-triazin-6-yl)-1-methylpyrrol-2-yl]-3-phenyl-2,6-dihydro-1,2,4-triazin-5-one 1-Acetyl-6-[5-(1-acetyl-5-oxo-3-phenyl-2,6-dihydro-1,2,4-triazin-6-yl)-1-methyl-pyrrol-2-yl]-3-phenyl-2,6-dihydro-1,2,4-triazin-5-one 1-Ethanoyl-6-[5-(1-ethanoyl-5-oxidanylidene-3-phenyl-2,6-dihydro-1,2,4-triazin-6-yl)-1-methyl-pyrrol-2-yl]-3-phenyl-2,6-dihydro-1,2,4-triazin-5-one
Wiley ID 1400647