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2,4,6-Triisopropylbenzoic acid

View entire compound with spectra: 1 NMR, and 1 FTIR

2,4,6-Triisopropylbenzoic acid
SpectraBase Compound ID AwWM8hjTGqs
InChI InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)
InChIKey ULVHAZFBJJXIDO-UHFFFAOYSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9936LWwZxaF
Name 2,4,6-Triisopropylbenzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.177630011 u
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)
InChIKey ULVHAZFBJJXIDO-UHFFFAOYSA-N
Molecular Weight 248.366 g/mol
SMILES C1(=C(C(=CC(=C1)C(C)C)C(C)C)C(=O)O)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.836168