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2-(4-Acetyl-2-nitro-phenylsulfanyl)-N-naphthalen-2-yl-acetamide
SpectraBase Compound ID 8wBHNRPQ5eP
InChI InChI=1S/C20H16N2O4S/c1-13(23)15-7-9-19(18(11-15)22(25)26)27-12-20(24)21-17-8-6-14-4-2-3-5-16(14)10-17/h2-11H,12H2,1H3,(H,21,24)
InChIKey MGMLMQCZPYUAHD-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 CIJefbTitAe
Name 2-(4-Acetyl-2-nitro-phenylsulfanyl)-N-naphthalen-2-yl-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/c1-13(23)15-7-9-19(18(11-15)22(25)26)27-12-20(24)21-17-8-6-14-4-2-3-5-16(14)10-17/h2-11H,12H2,1H3,(H,21,24)
InChIKey MGMLMQCZPYUAHD-UHFFFAOYSA-N
Molecular Weight 380.418 g/mol
SMILES C1=CC2=CC=C(NC(CSC=3C(N(=O)=O)=CC(C(C)=O)=CC3)=O)C=C2C=C1