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2,6-Ditert-butyl-4-hydroxy-benzoic acid

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

2,6-Ditert-butyl-4-hydroxy-benzoic acid
SpectraBase Compound ID J1fxsriuTNu
InChI InChI=1S/C15H22O3/c1-14(2,3)10-7-9(16)8-11(15(4,5)6)12(10)13(17)18/h7-8,16H,1-6H3,(H,17,18)
InChIKey YXIFYFLSUNZNHW-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KpZLi86kiBy
Name 2,6-Ditert-butyl-4-hydroxy-benzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.156894565 u
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-14(2,3)10-7-9(16)8-11(15(4,5)6)12(10)13(17)18/h7-8,16H,1-6H3,(H,17,18)
InChIKey YXIFYFLSUNZNHW-UHFFFAOYSA-N
Molecular Weight 250.338 g/mol
SMILES C=1(C(C(C)(C)C)=CC(=CC1C(C)(C)C)O)C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940945