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

*Links on SpectraBase are not permalinks.

3-Methylthio-6-phenyl-1,2,4-triazin-5(2H)-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-Methylthio-6-phenyl-1,2,4-triazin-5(2H)-one
SpectraBase Compound ID FdFMGim56n2
InChI InChI=1S/C10H9N3OS/c1-15-10-11-9(14)8(12-13-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13,14)
InChIKey XHHHXWUBPUAMPZ-UHFFFAOYSA-N
Mol Weight 219.26 g/mol
Molecular Formula C10H9N3OS
Exact Mass 219.046633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID IPHMPAuIc2n
Name 3-Methylthio-6-phenyl-1,2,4-triazin-5(2H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.046633095 u
Formula C10H9N3OS
InChI InChI=1S/C10H9N3OS/c1-15-10-11-9(14)8(12-13-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13,14)
InChIKey XHHHXWUBPUAMPZ-UHFFFAOYSA-N
Molecular Weight 219.262 g/mol
SMILES C1(N=C(NN=C1C=1C=CC=CC1)SC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919135