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

View entire compound with spectra: 1 NMR

1,3-Benzenediol, o-(6-chlorohexanoyl)-o'-(2-fluorobenzoyl)-
SpectraBase Compound ID 2Tq6xvKxZAN
InChI InChI=1S/C19H18ClFO4/c20-12-5-1-2-11-18(22)24-14-7-6-8-15(13-14)25-19(23)16-9-3-4-10-17(16)21/h3-4,6-10,13H,1-2,5,11-12H2
InChIKey RSYKENRITDVUOW-UHFFFAOYSA-N
Mol Weight 364.8 g/mol
Molecular Formula C19H18ClFO4
Exact Mass 364.087765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B9cC6MPOLM9
Name 1,3-Benzenediol, o-(6-chlorohexanoyl)-o'-(2-fluorobenzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.087764919 u
Formula C19H18ClFO4
InChI InChI=1S/C19H18ClFO4/c20-12-5-1-2-11-18(22)24-14-7-6-8-15(13-14)25-19(23)16-9-3-4-10-17(16)21/h3-4,6-10,13H,1-2,5,11-12H2
InChIKey RSYKENRITDVUOW-UHFFFAOYSA-N
Molecular Weight 364.800 g/mol
SMILES C1=C(C=CC=C1OC(=O)CCCCCCl)OC(=O)C1=CC=CC=C1F