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2-Thiophenecarboxamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
SpectraBase Compound ID CtdfYBQuznz
InChI InChI=1S/C16H15N3O2S/c1-11-14(17-15(20)13-9-6-10-22-13)16(21)19(18(11)2)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,17,20)
InChIKey UUURGDJLVCIDOM-UHFFFAOYSA-N
Mol Weight 313.38 g/mol
Molecular Formula C16H15N3O2S
Exact Mass 313.088498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LeutXwzclZb
Name 2-Thiophenecarboxamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.088497907 u
Formula C16H15N3O2S
InChI InChI=1S/C16H15N3O2S/c1-11-14(17-15(20)13-9-6-10-22-13)16(21)19(18(11)2)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,17,20)
InChIKey UUURGDJLVCIDOM-UHFFFAOYSA-N
Molecular Weight 313.375 g/mol
SMILES C=1C=CSC1C(=O)NC=1C(N(C2=CC=CC=C2)N(C)C1C)=O