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3,5-Di-tert-butylbenzoic acid

View entire compound with spectra: 4 NMR, 4 FTIR, 1 Raman, and 3 MS (GC)

3,5-Di-tert-butylbenzoic acid
SpectraBase Compound ID FCv7kSwj99E
InChI InChI=1S/C15H22O2/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3,(H,16,17)
InChIKey NCTSLPBQVXUAHR-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3Ql6LgjVT3s
Name 3,5-Di-tert-butylbenzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 273023
CAS Registry Number 16225-26-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3,(H,16,17)
InChIKey NCTSLPBQVXUAHR-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_004980