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1,2-Benzenediol, o-(5-chlorovaleryl)-o'-(1-naphthoyl)-
SpectraBase Compound ID 5eYJQCc9DaY
InChI InChI=1S/C22H19ClO4/c23-15-6-5-14-21(24)26-19-12-3-4-13-20(19)27-22(25)18-11-7-9-16-8-1-2-10-17(16)18/h1-4,7-13H,5-6,14-15H2
InChIKey GDCNGVARGIXQDV-UHFFFAOYSA-N
Mol Weight 382.84 g/mol
Molecular Formula C22H19ClO4
Exact Mass 382.097187 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BsYIAcEqe4Z
Name 1,2-Benzenediol, o-(5-chlorovaleryl)-o'-(1-naphthoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.097186788 u
Formula C22H19ClO4
InChI InChI=1S/C22H19ClO4/c23-15-6-5-14-21(24)26-19-12-3-4-13-20(19)27-22(25)18-11-7-9-16-8-1-2-10-17(16)18/h1-4,7-13H,5-6,14-15H2
InChIKey GDCNGVARGIXQDV-UHFFFAOYSA-N
Molecular Weight 382.843 g/mol
SMILES C1(=CC=CC=C1OC(CCCCCl)=O)OC(C1=C2C(C=CC=C2)=CC=C1)=O