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Bisphenol C, trimethylacetate

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

Bisphenol C, trimethylacetate
SpectraBase Compound ID Lo5MxcLBfZR
InChI InChI=1S/C22H28O3/c1-14-12-16(8-10-18(14)23)22(6,7)17-9-11-19(15(2)13-17)25-20(24)21(3,4)5/h8-13,23H,1-7H3
InChIKey NWCLKRXIARWZDD-UHFFFAOYSA-N
Mol Weight 340.46 g/mol
Molecular Formula C22H28O3
Exact Mass 340.203845 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9RPYPK0hCr8
Name Bisphenol C, trimethylacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.203844759 u
Formula C22H28O3
InChI InChI=1S/C22H28O3/c1-14-12-16(8-10-18(14)23)22(6,7)17-9-11-19(15(2)13-17)25-20(24)21(3,4)5/h8-13,23H,1-7H3
InChIKey NWCLKRXIARWZDD-UHFFFAOYSA-N
Molecular Weight 340.463 g/mol
SMILES C(C)(C)(C1=CC(C)=C(C=C1)O)C1=CC(C)=C(C=C1)OC(C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858378