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4-tert-Butoxybenzoic acid

View entire compound with spectra: 1 FTIR, 1 Raman, and 2 MS (GC)

4-tert-Butoxybenzoic acid
SpectraBase Compound ID 1Nhowgjsvz9
InChI InChI=1S/C11H14O3/c1-11(2,3)14-9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChIKey WHTBQELRENWGTE-UHFFFAOYSA-N
Mol Weight 194.23 g/mol
Molecular Formula C11H14O3
Exact Mass 194.094294 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID A8CFRmpWHiC
Name 4-Tert-butoxybenzoic acid; benzoic acid, p-tert-butoxy-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.094294308 u
Formula C11H14O3
InChI InChI=1S/C11H14O3/c1-11(2,3)14-9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChIKey WHTBQELRENWGTE-UHFFFAOYSA-N
Molecular Weight 194.230 g/mol
SMILES OC(C=1C=CC(=CC1)OC(C)(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.972149