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1,2-Benzenediol, o-(4-chlorobenzoyl)-o'-(octanoyl)-
SpectraBase Compound ID 8HXTAHr14XC
InChI InChI=1S/C21H23ClO4/c1-2-3-4-5-6-11-20(23)25-18-9-7-8-10-19(18)26-21(24)16-12-14-17(22)15-13-16/h7-10,12-15H,2-6,11H2,1H3
InChIKey QGUZDVWDIFJBIJ-UHFFFAOYSA-N
Mol Weight 374.86 g/mol
Molecular Formula C21H23ClO4
Exact Mass 374.128487 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CgtkDWi47mn
Name 1,2-Benzenediol, o-(4-chlorobenzoyl)-o'-(octanoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.128486917 u
Formula C21H23ClO4
InChI InChI=1S/C21H23ClO4/c1-2-3-4-5-6-11-20(23)25-18-9-7-8-10-19(18)26-21(24)16-12-14-17(22)15-13-16/h7-10,12-15H,2-6,11H2,1H3
InChIKey QGUZDVWDIFJBIJ-UHFFFAOYSA-N
Molecular Weight 374.864 g/mol
SMILES C1(=CC=CC=C1OC(=O)C1=CC=C(C=C1)Cl)OC(=O)CCCCCCC