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2-Anilino-3-chloracetylamino-1,4-naphthoquinone
SpectraBase Compound ID 6EmRrIZa8xc
InChI InChI=1S/C18H13ClN2O3/c19-10-14(22)21-16-15(20-11-6-2-1-3-7-11)17(23)12-8-4-5-9-13(12)18(16)24/h1-9,20H,10H2,(H,21,22)
InChIKey JVPFTZOHSWQMMI-UHFFFAOYSA-N
Mol Weight 340.77 g/mol
Molecular Formula C18H13ClN2O3
Exact Mass 340.06147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3aG8IjUdQIo
Name 2-Anilino-3-chloracetylamino-1,4-naphthoquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.061469984 u
Formula C18H13ClN2O3
InChI InChI=1S/C18H13ClN2O3/c19-10-14(22)21-16-15(20-11-6-2-1-3-7-11)17(23)12-8-4-5-9-13(12)18(16)24/h1-9,20H,10H2,(H,21,22)
InChIKey JVPFTZOHSWQMMI-UHFFFAOYSA-N
Molecular Weight 340.766 g/mol
SMILES C1(C(=C(C(C=2C=CC=CC12)=O)NC(=O)CCl)NC=1C=CC=CC1)=O