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

*Links on SpectraBase are not permalinks.
6-Methyl-3-phenethylsulfanyl-[1,2,4]triazin-5-ol
SpectraBase Compound ID 7yXESZUXWLc
InChI InChI=1S/C12H13N3OS/c1-9-11(16)13-12(15-14-9)17-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,15,16)
InChIKey BODKIUXYWMOLCS-UHFFFAOYSA-N
Mol Weight 247.32 g/mol
Molecular Formula C12H13N3OS
Exact Mass 247.077933 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 HEIxnEgzkG5
Name 6-Methyl-3-phenethylsulfanyl-[1,2,4]triazin-5-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3OS
InChI InChI=1S/C12H13N3OS/c1-9-11(16)13-12(15-14-9)17-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,15,16)
InChIKey BODKIUXYWMOLCS-UHFFFAOYSA-N
Molecular Weight 247.316 g/mol
SMILES Oc1nc(nnc1C)SCCc1ccccc1
SPLASH splash10-0udi-9400000000-91b895d8ac75af97863d
Synonyms 6-Methyl-3-(phenethylthio)-2H-1,2,4-triazin-5-one 6-Methyl-3-phenethylsulfanyl-2H-1,2,4-triazin-5-one 6-Methyl-3-[(2-phenylethyl)sulfanyl]-1,2,4-triazin-5-ol 6-Methyl-3-(2-phenylethylthio)-2H-1,2,4-triazin-5-one
Wiley ID 1464676