For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1,2-Benzenediol, o-(3-bromobenzoyl)-o'-(5-clorovaleryl)-

View entire compound with spectra: 1 NMR

1,2-Benzenediol, o-(3-bromobenzoyl)-o'-(5-clorovaleryl)-
SpectraBase Compound ID FulHxS5843t
InChI InChI=1S/C18H16BrClO4/c19-14-7-5-6-13(12-14)18(22)24-16-9-2-1-8-15(16)23-17(21)10-3-4-11-20/h1-2,5-9,12H,3-4,10-11H2
InChIKey YHNHZJUYGNRWHO-UHFFFAOYSA-N
Mol Weight 411.68 g/mol
Molecular Formula C18H16BrClO4
Exact Mass 409.99205 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID I3ABuQEGNSF
Name 1,2-Benzenediol, o-(3-bromobenzoyl)-o'-(5-clorovaleryl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.992049691 u
Formula C18H16BrClO4
InChI InChI=1S/C18H16BrClO4/c19-14-7-5-6-13(12-14)18(22)24-16-9-2-1-8-15(16)23-17(21)10-3-4-11-20/h1-2,5-9,12H,3-4,10-11H2
InChIKey YHNHZJUYGNRWHO-UHFFFAOYSA-N
Molecular Weight 411.679 g/mol
SMILES C1(=CC=CC(=C1)C(OC1=CC=CC=C1OC(CCCCCl)=O)=O)Br