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N-Naphthalen-2-yl-2-[2-(4-nitro-phenyl)-2-oxo-ethylsulfanyl]-acetamide
SpectraBase Compound ID KC2wew7WqX0
InChI InChI=1S/C20H16N2O4S/c23-19(15-6-9-18(10-7-15)22(25)26)12-27-13-20(24)21-17-8-5-14-3-1-2-4-16(14)11-17/h1-11H,12-13H2,(H,21,24)
InChIKey VIPCZBHXEKFOPH-UHFFFAOYSA-N
Mol Weight 380.42 g/mol
Molecular Formula C20H16N2O4S
Exact Mass 380.083078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HvkwFSJrKBf
Name N-Naphthalen-2-yl-2-[2-(4-nitro-phenyl)-2-oxo-ethylsulfanyl]-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.083078173 u
Formula C20H16N2O4S
InChI InChI=1S/C20H16N2O4S/c23-19(15-6-9-18(10-7-15)22(25)26)12-27-13-20(24)21-17-8-5-14-3-1-2-4-16(14)11-17/h1-11H,12-13H2,(H,21,24)
InChIKey VIPCZBHXEKFOPH-UHFFFAOYSA-N
Molecular Weight 380.418 g/mol
SMILES C1=CC2=CC=C(NC(CSCC(C=3C=CC(N(=O)=O)=CC3)=O)=O)C=C2C=C1