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acetamide, N-[4-[1-acetyl-4,5-dihydro-5-(2-thienyl)-1H-pyrazol-3-yl]phenyl]-

View entire compound with spectra: 2 NMR

acetamide, N-[4-[1-acetyl-4,5-dihydro-5-(2-thienyl)-1H-pyrazol-3-yl]phenyl]-
SpectraBase Compound ID IOcSEOa0yqq
InChI InChI=1S/C17H17N3O2S/c1-11(21)18-14-7-5-13(6-8-14)15-10-16(17-4-3-9-23-17)20(19-15)12(2)22/h3-9,16H,10H2,1-2H3,(H,18,21)
InChIKey BWIFXDDQKYUBCV-UHFFFAOYSA-N
Mol Weight 327.4 g/mol
Molecular Formula C17H17N3O2S
Exact Mass 327.104148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID QwL9PTirMX
Name Acetamide, N-[4-[1-acetyl-4,5-dihydro-5-(2-thienyl)-1H-pyrazol-3-yl]phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.104147971 u
Formula C17H17N3O2S
InChI InChI=1S/C17H17N3O2S/c1-11(21)18-14-7-5-13(6-8-14)15-10-16(17-4-3-9-23-17)20(19-15)12(2)22/h3-9,16H,10H2,1-2H3,(H,18,21)
InChIKey BWIFXDDQKYUBCV-UHFFFAOYSA-N
Molecular Weight 327.402 g/mol
SMILES N(C(=O)C)C=1C=CC(C2=NN(C(C2)C=2SC=CC2)C(=O)C)=CC1