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Bisphenol B, diacetate

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

Bisphenol B, diacetate
SpectraBase Compound ID 5wdArOdYkx3
InChI InChI=1S/C20H22O4/c1-5-20(4,16-6-10-18(11-7-16)23-14(2)21)17-8-12-19(13-9-17)24-15(3)22/h6-13H,5H2,1-4H3
InChIKey PHJVOBYHSAHGHY-UHFFFAOYSA-N
Mol Weight 326.39 g/mol
Molecular Formula C20H22O4
Exact Mass 326.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K3iEN2Tbmm1
Name Bisphenol B, diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.151809184 u
Formula C20H22O4
InChI InChI=1S/C20H22O4/c1-5-20(4,16-6-10-18(11-7-16)23-14(2)21)17-8-12-19(13-9-17)24-15(3)22/h6-13H,5H2,1-4H3
InChIKey PHJVOBYHSAHGHY-UHFFFAOYSA-N
Molecular Weight 326.392 g/mol
SMILES C(CC)(C)(C1=CC=C(C=C1)OC(C)=O)C1=CC=C(C=C1)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.850333