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bis(4-Tert-butylphenyl) carbonate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

bis(4-Tert-butylphenyl) carbonate
SpectraBase Compound ID 1qXMjfwdxDS
InChI InChI=1S/C21H26O3/c1-20(2,3)15-7-11-17(12-8-15)23-19(22)24-18-13-9-16(10-14-18)21(4,5)6/h7-14H,1-6H3
InChIKey WMEZDESZXBGWCU-UHFFFAOYSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID W6ooPCCHNZ
Name bis(4-Tert-butylphenyl) carbonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.188194694 u
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-20(2,3)15-7-11-17(12-8-15)23-19(22)24-18-13-9-16(10-14-18)21(4,5)6/h7-14H,1-6H3
InChIKey WMEZDESZXBGWCU-UHFFFAOYSA-N
Molecular Weight 326.436 g/mol
SMILES C(OC1=CC=C(C(C)(C)C)C=C1)(OC=1C=CC(C(C)(C)C)=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920217