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

*Links on SpectraBase are not permalinks.

1,4-bis(4-Benzyloxy-3,5-dimethoxyphenyl)-3-methylbutan-1-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,4-bis(4-Benzyloxy-3,5-dimethoxyphenyl)-3-methylbutan-1-one
SpectraBase Compound ID 3q0utIo1s97
InChI InChI=1S/C35H38O7/c1-24(16-27-18-30(37-2)34(31(19-27)38-3)41-22-25-12-8-6-9-13-25)17-29(36)28-20-32(39-4)35(33(21-28)40-5)42-23-26-14-10-7-11-15-26/h6-15,18-21,24H,16-17,22-23H2,1-5H3
InChIKey IAQQWYVONJHEBA-UHFFFAOYSA-N
Mol Weight 570.7 g/mol
Molecular Formula C35H38O7
Exact Mass 570.261754 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 6cm9tCELd6X
Name 1,4-bis(4-Benzyloxy-3,5-dimethoxyphenyl)-3-methylbutan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 570.261753557 u
Formula C35H38O7
InChI InChI=1S/C35H38O7/c1-24(16-27-18-30(37-2)34(31(19-27)38-3)41-22-25-12-8-6-9-13-25)17-29(36)28-20-32(39-4)35(33(21-28)40-5)42-23-26-14-10-7-11-15-26/h6-15,18-21,24H,16-17,22-23H2,1-5H3
InChIKey IAQQWYVONJHEBA-UHFFFAOYSA-N
Molecular Weight 570.682 g/mol
SMILES C=1(C(=CC(=CC1OC)C(CC(CC=1C=C(OC)C(=C(C1)OC)OCC1=CC=CC=C1)C)=O)OC)OCC=1C=CC=CC1