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

*Links on SpectraBase are not permalinks.

1,2-Benzenediol, o-(4-methoxybenzoyl)-o'-(2,2,3,3,4,4,4-heptafluorobutyryl)-

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

1,2-Benzenediol, o-(4-methoxybenzoyl)-o'-(2,2,3,3,4,4,4-heptafluorobutyryl)-
SpectraBase Compound ID 69AUjIXExnU
InChI InChI=1S/C18H11F7O5/c1-28-11-8-6-10(7-9-11)14(26)29-12-4-2-3-5-13(12)30-15(27)16(19,20)17(21,22)18(23,24)25/h2-9H,1H3
InChIKey WZIRZQOPXQZJIY-UHFFFAOYSA-N
Mol Weight 440.27 g/mol
Molecular Formula C18H11F7O5
Exact Mass 440.049471 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 2cD0GDLCxjQ
Name 1,2-Benzenediol, o-(4-methoxybenzoyl)-o'-(2,2,3,3,4,4,4-heptafluorobutyryl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.049470590 u
Formula C18H11F7O5
InChI InChI=1S/C18H11F7O5/c1-28-11-8-6-10(7-9-11)14(26)29-12-4-2-3-5-13(12)30-15(27)16(19,20)17(21,22)18(23,24)25/h2-9H,1H3
InChIKey WZIRZQOPXQZJIY-UHFFFAOYSA-N
Molecular Weight 440.270 g/mol
SMILES COC1=CC=C(C(OC2=CC=CC=C2OC(C(F)(C(C(F)(F)F)(F)F)F)=O)=O)C=C1