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1,2,4-Triazin-5(2H)-one, 3-[(1-methyl-2-propynyl)thio]-6-phenyl-
SpectraBase Compound ID Iadk5P0UCkI
InChI InChI=1S/C13H11N3OS/c1-3-9(2)18-13-14-12(17)11(15-16-13)10-7-5-4-6-8-10/h1,4-9H,2H3,(H,14,16,17)
InChIKey KMOZDKHLVWDVFU-UHFFFAOYSA-N
Mol Weight 257.31 g/mol
Molecular Formula C13H11N3OS
Exact Mass 257.062283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5ZxVwRoLiD
Name 1,2,4-Triazin-5(2H)-one, 3-[(1-methyl-2-propynyl)thio]-6-phenyl-
CAS Registry Number 97099-91-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N3OS
InChI InChI=1S/C13H11N3OS/c1-3-9(2)18-13-14-12(17)11(15-16-13)10-7-5-4-6-8-10/h1,4-9H,2H3,(H,14,16,17)
InChIKey KMOZDKHLVWDVFU-UHFFFAOYSA-N
Molecular Weight 257.311 g/mol
SMILES N1C(=NC(C(=N1)c1ccccc1)=O)SC(C#C)C
SPLASH splash10-0zg0-5950000000-f26eb0b6071c8998d2af
Source of Spectrum F-42-312-10
Synonyms 3-[(1-methyl-2-propynyl)sulfanyl]-6-phenyl-1,2,4-triazin-5(2H)-one 6-Phenyl-3-(1-methylpropargylthio)-1,2,4-triazin-5-(2H)one
Wiley ID 1260685