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

*Links on SpectraBase are not permalinks.

3-(2-Chloro-6-fluorobenzyl)-7-hydroxy-4-propylcoumarin, 2,4-dimethoxybenzoate

View entire compound with spectra: 3 NMR, and 1 FTIR

3-(2-Chloro-6-fluorobenzyl)-7-hydroxy-4-propylcoumarin, 2,4-dimethoxybenzoate
SpectraBase Compound ID ID6eOE4Um0a
InChI InChI=1S/C28H24ClFO6/c1-4-6-18-19-11-9-17(35-28(32)22-13-16(33-2)10-12-25(22)34-3)14-26(19)36-27(31)20(18)15-21-23(29)7-5-8-24(21)30/h5,7-14H,4,6,15H2,1-3H3
InChIKey WGOZGDLZQRFKKD-UHFFFAOYSA-N
Mol Weight 510.95 g/mol
Molecular Formula C28H24ClFO6
Exact Mass 510.124544 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID Gt5NghYMPJP
Name 3-(2-Chloro-6-fluorobenzyl)-7-hydroxy-4-propylcoumarin, 2,4-dimethoxybenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.124544350 u
Formula C28H24ClFO6
InChI InChI=1S/C28H24ClFO6/c1-4-6-18-19-11-9-17(35-28(32)22-13-16(33-2)10-12-25(22)34-3)14-26(19)36-27(31)20(18)15-21-23(29)7-5-8-24(21)30/h5,7-14H,4,6,15H2,1-3H3
InChIKey WGOZGDLZQRFKKD-UHFFFAOYSA-N
Molecular Weight 510.945 g/mol
SMILES C=12C=CC(=CC1OC(C(=C2CCC)CC=1C(=CC=CC1F)Cl)=O)OC(C=1C(=CC=C(C1)OC)OC)=O