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p-chloro-N-[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]benzamide
SpectraBase Compound ID GdEwUE2DU1x
InChI InChI=1S/C19H16ClN3OS/c1-12-13(2)23(11-16-4-3-9-25-16)18(17(12)10-21)22-19(24)14-5-7-15(20)8-6-14/h3-9H,11H2,1-2H3,(H,22,24)
InChIKey RJFHZFWYMUSXLJ-UHFFFAOYSA-N
Mol Weight 369.87 g/mol
Molecular Formula C19H16ClN3OS
Exact Mass 369.070261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ihl1UqybPtx
Name p-Chloro-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 369.070261020 u
Formula C19H16ClN3OS
InChI InChI=1S/C19H16ClN3OS/c1-12-13(2)23(11-16-4-3-9-25-16)18(17(12)10-21)22-19(24)14-5-7-15(20)8-6-14/h3-9H,11H2,1-2H3,(H,22,24)
InChIKey RJFHZFWYMUSXLJ-UHFFFAOYSA-N
Molecular Weight 369.870 g/mol
SMILES N(C(C1=CC=C(C=C1)Cl)=O)C1=C(C(=C(N1CC1=CC=CS1)C)C)C#N