For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6-Phenyl-3-(prop-2-ynylthio)-2H-1,2,4-triazin-5-one
SpectraBase Compound ID BTG7iydUZnV
InChI InChI=1S/C12H9N3OS/c1-2-8-17-12-13-11(16)10(14-15-12)9-6-4-3-5-7-9/h1,3-7H,8H2,(H,13,15,16)
InChIKey IYVDBGOPIFHJPC-UHFFFAOYSA-N
Mol Weight 243.28 g/mol
Molecular Formula C12H9N3OS
Exact Mass 243.046633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Iud8zF2kjpG
Name 6-Phenyl-3-(prop-2-ynylthio)-2H-1,2,4-triazin-5-one
CAS Registry Number 97099-89-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3OS
InChI InChI=1S/C12H9N3OS/c1-2-8-17-12-13-11(16)10(14-15-12)9-6-4-3-5-7-9/h1,3-7H,8H2,(H,13,15,16)
InChIKey IYVDBGOPIFHJPC-UHFFFAOYSA-N
Molecular Weight 243.284 g/mol
SMILES N1C(=NC(C(=N1)c1ccccc1)=O)SCC#C
SPLASH splash10-0006-4950000000-20f8c30c1cd1b074046b
Source of Spectrum F-42-311-10
Synonyms 6-Phenyl-3-(propargylthio)-2H-1,2,4-triazin-5-one 6-Phenyl-3-prop-2-ynylsulfanyl-2H-1,2,4-triazin-5-one
Wiley ID 1245921