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3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-phenyl-2-(2-propynyl)-
SpectraBase Compound ID KUnWlNN9slc
InChI InChI=1S/C11H9N3O/c1-2-8-14-11(15)12-10(13-14)9-6-4-3-5-7-9/h1,3-7H,8H2,(H,12,13,15)
InChIKey CTIHYAAWMYEOAG-UHFFFAOYSA-N
Mol Weight 199.21 g/mol
Molecular Formula C11H9N3O
Exact Mass 199.074562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdD3Xd2uDWp
Name 3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-phenyl-2-(2-propynyl)-
CAS Registry Number 64892-25-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9N3O
InChI InChI=1S/C11H9N3O/c1-2-8-14-11(15)12-10(13-14)9-6-4-3-5-7-9/h1,3-7H,8H2,(H,12,13,15)
InChIKey CTIHYAAWMYEOAG-UHFFFAOYSA-N
Molecular Weight 199.213 g/mol
SMILES N1N(C(N=C1c1ccccc1)=O)CC#C
SPLASH splash10-0udi-7900000000-366c8e315d6e803157db
Source of Spectrum O-12-308-3
Synonyms 5-Phenyl-2-(2-propynyl)-1,2-dihydro-3H-1,2,4-triazol-3-one 2-(Prop-2-ynyl)-5-phenyl-1,2,4-triazol-3-one 5-Phenyl-2-prop-2-ynyl-1H-1,2,4-triazol-3-one 5-Phenyl-2-propargyl-1H-1,2,4-triazol-3-one
Wiley ID 1196700