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2-Penten-1-one, 1-(2-hydroxy-5-methylphenyl)-4-methyl-

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

2-Penten-1-one, 1-(2-hydroxy-5-methylphenyl)-4-methyl-
SpectraBase Compound ID Fe0q6cwhmQx
InChI InChI=1S/C13H16O2/c1-9(2)4-6-12(14)11-8-10(3)5-7-13(11)15/h4-9,15H,1-3H3/b6-4+
InChIKey AGWPRENVQVXJTB-GQCTYLIASA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ks3cQoH0OZ0
Name 2-Penten-1-one, 1-(2-hydroxy-5-methylphenyl)-4-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-9(2)4-6-12(14)11-8-10(3)5-7-13(11)15/h4-9,15H,1-3H3/b6-4+
InChIKey AGWPRENVQVXJTB-GQCTYLIASA-N
Molecular Weight 204.269 g/mol
SMILES C(\C=C\C(C)C)(=O)C1=C(O)C=CC(=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978328