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3-Phenyl-5-benzoylmethyl-2-pyrazoline-1-carbothioamide

View entire compound with spectra: 1 NMR

3-Phenyl-5-benzoylmethyl-2-pyrazoline-1-carbothioamide
SpectraBase Compound ID 7Ho77kkiRIv
InChI InChI=1S/C18H17N3OS/c19-18(23)21-15(12-17(22)14-9-5-2-6-10-14)11-16(20-21)13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H2,19,23)
InChIKey IBCDOSPTOZREEE-UHFFFAOYSA-N
Mol Weight 323.41 g/mol
Molecular Formula C18H17N3OS
Exact Mass 323.109233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JsGhOvSLdRK
Name 3-Phenyl-5-benzoylmethyl-2-pyrazoline-1-carbothioamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.109233352 u
Formula C18H17N3OS
InChI InChI=1S/C18H17N3OS/c19-18(23)21-15(12-17(22)14-9-5-2-6-10-14)11-16(20-21)13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H2,19,23)
InChIKey IBCDOSPTOZREEE-UHFFFAOYSA-N
Molecular Weight 323.414 g/mol
SMILES C=1(CC(CC(=O)C2=CC=CC=C2)N(N1)C(N)=S)C1=CC=CC=C1