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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeGqGE92cZ1
Name Benzoic acid, 3,5-bis(1,1-dimethylethyl)-
CAS Registry Number 16225-26-6
Copyright Copyright © 2020-2024 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
Molecular Weight 234.339 g/mol
SMILES OC(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=O
SPLASH splash10-014i-2290000000-1f741f498150e800a851
Synonyms 3,5-Di-tert-butylbenzoic acid
Wiley ID 1477105