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3-(4""-Methylphenyl)-2-cyano-N-( 6'-methoxy-2'-benzothiazolyl)-2-propenamide

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3-(4""-Methylphenyl)-2-cyano-N-( 6'-methoxy-2'-benzothiazolyl)-2-propenamide
SpectraBase Compound ID 4I1K344yMil
InChI InChI=1S/C19H15N3O2S/c1-12-3-5-13(6-4-12)9-14(11-20)18(23)22-19-21-16-8-7-15(24-2)10-17(16)25-19/h3-10H,1-2H3,(H,21,22,23)/b14-9+
InChIKey IHXANBXUTGIRLX-NTEUORMPSA-N
Mol Weight 349.41 g/mol
Molecular Formula C19H15N3O2S
Exact Mass 349.088498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BD6RV5e9SoR
Name 3-(4""-Methylphenyl)-2-cyano-N-( 6'-methoxy-2'-benzothiazolyl)-2-propenamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.088497907 u
Formula C19H15N3O2S
InChI InChI=1S/C19H15N3O2S/c1-12-3-5-13(6-4-12)9-14(11-20)18(23)22-19-21-16-8-7-15(24-2)10-17(16)25-19/h3-10H,1-2H3,(H,21,22,23)/b14-9+
InChIKey IHXANBXUTGIRLX-NTEUORMPSA-N
Molecular Weight 349.408 g/mol
SMILES C1(=NC2=CC=C(C=C2S1)OC)NC(\C(=C\C=1C=CC(=CC1)C)C#N)=O