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2-(3-Methyl-4-propan-2-yl-phenyl)ethanoic acid

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

2-(3-Methyl-4-propan-2-yl-phenyl)ethanoic acid
SpectraBase Compound ID Hq0meuMg1T7
InChI InChI=1S/C12H16O2/c1-8(2)11-5-4-10(6-9(11)3)7-12(13)14/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKey FJSBJJWXABHLKX-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7AiUtDi1xcv
Name 2-(3-Methyl-4-propan-2-yl-phenyl)ethanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 192.115029753 u
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-8(2)11-5-4-10(6-9(11)3)7-12(13)14/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKey FJSBJJWXABHLKX-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES C=1(C(=CC(=CC1)CC(=O)O)C)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897299