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4-Tert-butylbenzoic acid

View entire compound with spectra: 8 NMR, 7 FTIR, 1 Raman, 2 UV-Vis, and 9 MS (GC)

4-Tert-butylbenzoic acid
SpectraBase Compound ID GUSodhIPYoQ
InChI InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChIKey KDVYCTOWXSLNNI-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DlDXgnT0DLG
Name benzoic acid, 4-(1,1-dimethylethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 178.099379689 u
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChIKey KDVYCTOWXSLNNI-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2087
Solvent DMSO-d6
Source Vendor ID: NMR/13231425; Lab Info: SMM; Lab Number: SMM-0000005