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Methyl 2-benzoyl-3,6-bis(t-butyl)benzoate

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

Methyl 2-benzoyl-3,6-bis(t-butyl)benzoate
SpectraBase Compound ID GVB25PLFWlt
InChI InChI=1S/C23H28O3/c1-22(2,3)16-13-14-17(23(4,5)6)19(21(25)26-7)18(16)20(24)15-11-9-8-10-12-15/h8-14H,1-7H3
InChIKey GDEBXXCQOJPMOB-UHFFFAOYSA-N
Mol Weight 352.47 g/mol
Molecular Formula C23H28O3
Exact Mass 352.203845 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1NaXvgO0UTP
Name Methyl 2-benzoyl-3,6-bis(T-butyl)benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.203844759 u
Formula C23H28O3
InChI InChI=1S/C23H28O3/c1-22(2,3)16-13-14-17(23(4,5)6)19(21(25)26-7)18(16)20(24)15-11-9-8-10-12-15/h8-14H,1-7H3
InChIKey GDEBXXCQOJPMOB-UHFFFAOYSA-N
Molecular Weight 352.474 g/mol
SMILES C(C=1C(=C(C=CC1C(C)(C)C)C(C)(C)C)C(C=1C=CC=CC1)=O)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900223