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

*Links on SpectraBase are not permalinks.

3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylthio)-

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

3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylthio)-
SpectraBase Compound ID LdmYmrSpY21
InChI InChI=1S/C16H14N2OS/c1-12-15(20-14-10-6-3-7-11-14)16(19)18(17-12)13-8-4-2-5-9-13/h2-11,15H,1H3
InChIKey BGVXJZCAHWGDCB-UHFFFAOYSA-N
Mol Weight 282.36 g/mol
Molecular Formula C16H14N2OS
Exact Mass 282.082684 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID A9oqUBYFKnc
Name 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylthio)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.082684252 u
Formula C16H14N2OS
InChI InChI=1S/C16H14N2OS/c1-12-15(20-14-10-6-3-7-11-14)16(19)18(17-12)13-8-4-2-5-9-13/h2-11,15H,1H3
InChIKey BGVXJZCAHWGDCB-UHFFFAOYSA-N
SMILES CC1=NN(C(=O)C1SC1=CC=CC=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944019