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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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9kM0lxpZyTG
Name Trimethyl bisphenol A - phthalate
Comments Computed using SmartSpectra Model v1.42
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
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920089