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1,3-Benzenediol, o-(6-chlorohexanoyl)-o'-(2-trifluoromethylbenzoyl)-

View entire compound with spectra: 1 NMR

1,3-Benzenediol, o-(6-chlorohexanoyl)-o'-(2-trifluoromethylbenzoyl)-
SpectraBase Compound ID 5Cst1GBwG6r
InChI InChI=1S/C20H18ClF3O4/c21-12-5-1-2-11-18(25)27-14-7-6-8-15(13-14)28-19(26)16-9-3-4-10-17(16)20(22,23)24/h3-4,6-10,13H,1-2,5,11-12H2
InChIKey WDDJMBITTIKEIS-UHFFFAOYSA-N
Mol Weight 414.81 g/mol
Molecular Formula C20H18ClF3O4
Exact Mass 414.084571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xRyB17AYSF
Name 1,3-Benzenediol, o-(6-chlorohexanoyl)-o'-(2-trifluoromethylbenzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.084571245 u
Formula C20H18ClF3O4
InChI InChI=1S/C20H18ClF3O4/c21-12-5-1-2-11-18(25)27-14-7-6-8-15(13-14)28-19(26)16-9-3-4-10-17(16)20(22,23)24/h3-4,6-10,13H,1-2,5,11-12H2
InChIKey WDDJMBITTIKEIS-UHFFFAOYSA-N
Molecular Weight 414.808 g/mol
SMILES C1(=CC(=CC=C1)OC(C1=CC=CC=C1C(F)(F)F)=O)OC(=O)CCCCCCl