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3-Hydroxy-2,2-dimethyl-5-phenylpent-4-ynoic acid

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3-Hydroxy-2,2-dimethyl-5-phenylpent-4-ynoic acid
SpectraBase Compound ID 9VjuHAApAjh
InChI InChI=1S/C13H14O3/c1-13(2,12(15)16)11(14)9-8-10-6-4-3-5-7-10/h3-7,11,14H,1-2H3,(H,15,16)
InChIKey UOXWTGQVLLNZQS-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8DgL2kWzs5K
Name 3-Hydroxy-2,2-dimethyl-5-phenylpent-4-ynoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.094294308 u
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-13(2,12(15)16)11(14)9-8-10-6-4-3-5-7-10/h3-7,11,14H,1-2H3,(H,15,16)
InChIKey UOXWTGQVLLNZQS-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES C(C(C(C#CC=1C=CC=CC1)O)(C)C)(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842703