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

View entire compound with spectra: 1 NMR

1,2-Benzenediol, o-(6-chlorohexanoyl)-o'-(3-bromobenzoyl)-
SpectraBase Compound ID 8QaLe277TKv
InChI InChI=1S/C19H18BrClO4/c20-15-8-6-7-14(13-15)19(23)25-17-10-4-3-9-16(17)24-18(22)11-2-1-5-12-21/h3-4,6-10,13H,1-2,5,11-12H2
InChIKey WWPQXLFYBHWQTF-UHFFFAOYSA-N
Mol Weight 425.71 g/mol
Molecular Formula C19H18BrClO4
Exact Mass 424.0077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2G28vsEfmsW
Name 1,2-Benzenediol, o-(6-chlorohexanoyl)-o'-(3-bromobenzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.007699756 u
Formula C19H18BrClO4
InChI InChI=1S/C19H18BrClO4/c20-15-8-6-7-14(13-15)19(23)25-17-10-4-3-9-16(17)24-18(22)11-2-1-5-12-21/h3-4,6-10,13H,1-2,5,11-12H2
InChIKey WWPQXLFYBHWQTF-UHFFFAOYSA-N
Molecular Weight 425.706 g/mol
SMILES C1(=CC=CC=C1OC(=O)CCCCCCl)OC(=O)C1=CC=CC(=C1)Br