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N-[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]benzamide

View entire compound with spectra: 3 NMR, and 1 FTIR

N-[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]benzamide
SpectraBase Compound ID 7M6rR9Fzftv
InChI InChI=1S/C19H17N3OS/c1-13-14(2)22(12-16-9-6-10-24-16)18(17(13)11-20)21-19(23)15-7-4-3-5-8-15/h3-10H,12H2,1-2H3,(H,21,23)
InChIKey NLQAGEAICGZTGU-UHFFFAOYSA-N
Mol Weight 335.43 g/mol
Molecular Formula C19H17N3OS
Exact Mass 335.109233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3o4jy9SkT9Z
Name N-[3-Cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.109233352 u
Formula C19H17N3OS
InChI InChI=1S/C19H17N3OS/c1-13-14(2)22(12-16-9-6-10-24-16)18(17(13)11-20)21-19(23)15-7-4-3-5-8-15/h3-10H,12H2,1-2H3,(H,21,23)
InChIKey NLQAGEAICGZTGU-UHFFFAOYSA-N
Molecular Weight 335.425 g/mol
SMILES N(C(C1=CC=CC=C1)=O)C1=C(C(=C(N1CC1=CC=CS1)C)C)C#N