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3-(4-Methoxyphenyl)-5-phenyl-2-pyrazoline-1-carbothioamide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

3-(4-Methoxyphenyl)-5-phenyl-2-pyrazoline-1-carbothioamide
SpectraBase Compound ID B4r2EKvsjOf
InChI InChI=1S/C17H17N3OS/c1-21-14-9-7-12(8-10-14)15-11-16(20(19-15)17(18)22)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,18,22)
InChIKey FVLMPRHVNJXADJ-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C17H17N3OS
Exact Mass 311.109233 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 44GZERgEDto
Name 3-(4-Methoxyphenyl)-5-phenyl-2-pyrazoline-1-carbothioamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.109233352 u
Formula C17H17N3OS
InChI InChI=1S/C17H17N3OS/c1-21-14-9-7-12(8-10-14)15-11-16(20(19-15)17(18)22)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,18,22)
InChIKey FVLMPRHVNJXADJ-UHFFFAOYSA-N
Molecular Weight 311.403 g/mol
SMILES C=1C=CC(C2N(N=C(C3=CC=C(C=C3)OC)C2)C(=S)N)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889