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N-(3-CYANO-4,5,6,7-TETRAHYDROBENZO-[B]-THIOPHEN-2-YL)-N-PHENYL-MALONAMIDE
SpectraBase Compound ID 8IoO7d0oJBy
InChI InChI=1S/C18H17N3O2S/c19-11-14-13-8-4-5-9-15(13)24-18(14)21-17(23)10-16(22)20-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2,(H,20,22)(H,21,23)
InChIKey LXEICMFUFILXLZ-UHFFFAOYSA-N
Mol Weight 339.41 g/mol
Molecular Formula C18H17N3O2S
Exact Mass 339.104148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6W1YRpZRT1
Name N-(3-CYANO-4,5,6,7-TETRAHYDROBENZO-[B]-THIOPHEN-2-YL)-N-PHENYL-MALONAMIDE
Compound Number 4
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17N3O2S
InChI InChI=1S/C18H17N3O2S/c19-11-14-13-8-4-5-9-15(13)24-18(14)21-17(23)10-16(22)20-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2,(H,20,22)(H,21,23)
InChIKey LXEICMFUFILXLZ-UHFFFAOYSA-N
Literature Reference Author H.Z.SHAMS,R.M.MOHAREB,M.H.HELAL,A.E.S.MAHMOUND
Literature Reference Citation MOLECULES,16,6271(2011)
Literature Reference DOI 10.3390/molecules16086271
Molecular Weight 339.412 g/mol
Sample ID 485
Solvent DMSO-D6