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5-Phenyl-2,4-di(2-propynyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
SpectraBase Compound ID KeGLPxarj4J
InChI InChI=1S/C14H11N3O/c1-3-10-16-13(12-8-6-5-7-9-12)15-17(11-4-2)14(16)18/h1-2,5-9H,10-11H2
InChIKey HPXBGUPQTHKMNN-UHFFFAOYSA-N
Mol Weight 237.26 g/mol
Molecular Formula C14H11N3O
Exact Mass 237.090212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1si4HMsl0xR
Name 5-Phenyl-2,4-di(2-propynyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CAS Registry Number 64892-26-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11N3O
InChI InChI=1S/C14H11N3O/c1-3-10-16-13(12-8-6-5-7-9-12)15-17(11-4-2)14(16)18/h1-2,5-9H,10-11H2
InChIKey HPXBGUPQTHKMNN-UHFFFAOYSA-N
Molecular Weight 237.262 g/mol
SMILES C#CCN1C(c2ccccc2)=NN(CC#C)C1=O
SPLASH splash10-0f79-4920000000-0c70de516a6835b1f72a
Source of Spectrum O-12-308-4
Synonyms 2,4-Di(prop-2-ynyl)-5-phenyl-1,2,4-triazol-3-one 5-Phenyl-2,4-bis(prop-2-ynyl)-1,2,4-triazol-3-one 5-Phenyl-2,4-dipropargyl-1,2,4-triazol-3-one
Wiley ID 1239601