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N,N,3-Trimethyl-5-oxo-1-phenyl-2-pyrazolinyl-4-dithiocarbamate

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

N,N,3-Trimethyl-5-oxo-1-phenyl-2-pyrazolinyl-4-dithiocarbamate
SpectraBase Compound ID F1V3Tcsw8Ox
InChI InChI=1S/C13H15N3OS2/c1-9-11(19-13(18)15(2)3)12(17)16(14-9)10-7-5-4-6-8-10/h4-8,11H,1-3H3
InChIKey CPUONYUQFQXLLN-UHFFFAOYSA-N
Mol Weight 293.4 g/mol
Molecular Formula C13H15N3OS2
Exact Mass 293.065654 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CIwIyTBzWe4
Name N,N,3-Trimethyl-5-oxo-1-phenyl-2-pyrazolinyl-4-dithiocarbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.065654462 u
Formula C13H15N3OS2
InChI InChI=1S/C13H15N3OS2/c1-9-11(19-13(18)15(2)3)12(17)16(14-9)10-7-5-4-6-8-10/h4-8,11H,1-3H3
InChIKey CPUONYUQFQXLLN-UHFFFAOYSA-N
SMILES C1(C(N(C2=CC=CC=C2)N=C1C)=O)SC(N(C)C)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840075