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4-Hydroxy-3-(3'-methyl-3'-buten-1'-inyl)-benzoic_acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

4-Hydroxy-3-(3'-methyl-3'-buten-1'-inyl)-benzoic_acid
SpectraBase Compound ID 5C1bszZI6cR
InChI InChI=1S/C12H10O3/c1-8(2)3-4-9-7-10(12(14)15)5-6-11(9)13/h5-7,13H,1H2,2H3,(H,14,15)
InChIKey HFSFSKBQIGXUEY-UHFFFAOYSA-N
Mol Weight 202.21 g/mol
Molecular Formula C12H10O3
Exact Mass 202.062994 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4vnBX37gg24
Name 4-Hydroxy-3-(3'-methyl-3'-buten-1'-inyl)-benzoic_acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 202.062994179 u
Formula C12H10O3
InChI InChI=1S/C12H10O3/c1-8(2)3-4-9-7-10(12(14)15)5-6-11(9)13/h5-7,13H,1H2,2H3,(H,14,15)
InChIKey HFSFSKBQIGXUEY-UHFFFAOYSA-N
Molecular Weight 202.209 g/mol
SMILES C(O)(=O)C1=CC(=C(O)C=C1)C#CC(=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905759