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

*Links on SpectraBase are not permalinks.

Trimethyl bisphenol A - phthalate

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

Trimethyl bisphenol A - phthalate
SpectraBase Compound ID Hnqn0W11mVU
InChI InChI=1S/C26H26O6/c1-26(2,17-6-10-19(29-3)11-7-17)18-8-12-20(13-9-18)32-21-14-15-22(24(27)30-4)23(16-21)25(28)31-5/h6-16H,1-5H3
InChIKey PQONMLVWYOOVCQ-UHFFFAOYSA-N
Mol Weight 434.49 g/mol
Molecular Formula C26H26O6
Exact Mass 434.172939 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 3v6gND7AaQg
Name Trimethyl bisphenol A - phthalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.172938551 u
Formula C26H26O6
InChI InChI=1S/C26H26O6/c1-26(2,17-6-10-19(29-3)11-7-17)18-8-12-20(13-9-18)32-21-14-15-22(24(27)30-4)23(16-21)25(28)31-5/h6-16H,1-5H3
InChIKey PQONMLVWYOOVCQ-UHFFFAOYSA-N
Molecular Weight 434.488 g/mol
SMILES C1(=CC=C(C=C1)OC)C(C)(C)C1=CC=C(C=C1)OC1=CC(=C(C=C1)C(=O)OC)C(=O)OC