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Bisphenol B, bis(trimethylacetate)

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Bisphenol B, bis(trimethylacetate)
SpectraBase Compound ID AjLbiRH6LJr
InChI InChI=1S/C26H34O4/c1-9-26(8,18-10-14-20(15-11-18)29-22(27)24(2,3)4)19-12-16-21(17-13-19)30-23(28)25(5,6)7/h10-17H,9H2,1-8H3
InChIKey ZWZMLNCORFEIOI-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C26H34O4
Exact Mass 410.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2SaupS1ZsNj
Name Bisphenol B, bis(trimethylacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.245709571 u
Formula C26H34O4
InChI InChI=1S/C26H34O4/c1-9-26(8,18-10-14-20(15-11-18)29-22(27)24(2,3)4)19-12-16-21(17-13-19)30-23(28)25(5,6)7/h10-17H,9H2,1-8H3
InChIKey ZWZMLNCORFEIOI-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES C(CC)(C)(C1=CC=C(C=C1)OC(C(C)(C)C)=O)C1=CC=C(C=C1)OC(C(C)(C)C)=O