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Benzeneacetic acid, 4-(1,1-dimethylethyl)-

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

Benzeneacetic acid, 4-(1,1-dimethylethyl)-
SpectraBase Compound ID 573XNWz0tm8
InChI InChI=1S/C12H16O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
InChIKey RUAYXHSDAMWEDR-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 KpZO9HTDopy
Name Benzeneacetic acid, 4-(1,1-dimethylethyl)-
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/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
InChIKey RUAYXHSDAMWEDR-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES C1=C(C=CC(=C1)C(C)(C)C)CC(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914056