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3-Chloranyl-N-[8-(3-chloranylpropanoylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]propanamide
SpectraBase Compound ID 4uHeMobC0m8
InChI InChI=1S/C20H16Cl2N2O4/c21-9-7-15(25)23-13-5-1-3-11-17(13)20(28)18-12(19(11)27)4-2-6-14(18)24-16(26)8-10-22/h1-6H,7-10H2,(H,23,25)(H,24,26)
InChIKey VXOIWSZVRSLNHM-UHFFFAOYSA-N
Mol Weight 419.26 g/mol
Molecular Formula C20H16Cl2N2O4
Exact Mass 418.048712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5otJzo3xugb
Name 3-Chloranyl-N-[8-(3-chloranylpropanoylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.048712399 u
Formula C20H16Cl2N2O4
InChI InChI=1S/C20H16Cl2N2O4/c21-9-7-15(25)23-13-5-1-3-11-17(13)20(28)18-12(19(11)27)4-2-6-14(18)24-16(26)8-10-22/h1-6H,7-10H2,(H,23,25)(H,24,26)
InChIKey VXOIWSZVRSLNHM-UHFFFAOYSA-N
Molecular Weight 419.264 g/mol
SMILES C1(C2=C(C=CC=C2NC(CCCl)=O)C(C=2C1=C(NC(CCCl)=O)C=CC2)=O)=O