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2-Phenyl-5-[(E)-2-phenylethenyl]-1H-1,2,4-triazol-3-one
SpectraBase Compound ID EPTjuJ9pK1W
InChI InChI=1S/C16H13N3O/c20-16-17-15(12-11-13-7-3-1-4-8-13)18-19(16)14-9-5-2-6-10-14/h1-12H,(H,17,18,20)/b12-11+
InChIKey KOFNSHZNTDSAGP-VAWYXSNFSA-N
Mol Weight 263.3 g/mol
Molecular Formula C16H13N3O
Exact Mass 263.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I626iXOWYuS
Name 2-Phenyl-5-[(E)-2-phenylethenyl]-1H-1,2,4-triazol-3-one
CAS Registry Number 28669-38-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O
InChI InChI=1S/C16H13N3O/c20-16-17-15(12-11-13-7-3-1-4-8-13)18-19(16)14-9-5-2-6-10-14/h1-12H,(H,17,18,20)/b12-11+
InChIKey KOFNSHZNTDSAGP-VAWYXSNFSA-N
Molecular Weight 263.300 g/mol
SMILES N1C(=NN(C1=O)c1ccccc1)\C=C\c1ccccc1
SPLASH splash10-03dl-7090000000-6c85e504eb10a99d5a88
Source of Spectrum O-5-119-10
Synonyms 2-Phenyl-5-[(E)-styryl]-1H-1,2,4-triazol-3-one
Wiley ID 37748