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

*Links on SpectraBase are not permalinks.

1,4-Benzenediol, 2-methoxy-5-(3-methoxy-3-phenyl-1-propenyl)-, dibenzoate

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

1,4-Benzenediol, 2-methoxy-5-(3-methoxy-3-phenyl-1-propenyl)-, dibenzoate
SpectraBase Compound ID 3PwSVRYXQTA
InChI InChI=1S/C31H26O6/c1-34-26(22-12-6-3-7-13-22)19-18-25-20-29(37-31(33)24-16-10-5-11-17-24)28(35-2)21-27(25)36-30(32)23-14-8-4-9-15-23/h3-21,26H,1-2H3/b19-18+
InChIKey GKSHLIIBTRGGFP-VHEBQXMUSA-N
Mol Weight 494.54 g/mol
Molecular Formula C31H26O6
Exact Mass 494.172939 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 6TPNL67UBB1
Name 1,4-Benzenediol, 2-methoxy-5-(3-methoxy-3-phenyl-1-propenyl)-, dibenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.172938551 u
Formula C31H26O6
InChI InChI=1S/C31H26O6/c1-34-26(22-12-6-3-7-13-22)19-18-25-20-29(37-31(33)24-16-10-5-11-17-24)28(35-2)21-27(25)36-30(32)23-14-8-4-9-15-23/h3-21,26H,1-2H3/b19-18+
InChIKey GKSHLIIBTRGGFP-VHEBQXMUSA-N
Molecular Weight 494.543 g/mol
SMILES C(OC=1C(=CC(=C(C1)\C=C\C(C=1C=CC=CC1)OC)OC(=O)C=1C=CC=CC1)OC)(=O)C=1C=CC=CC1