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1-(2-Hydroxy-3-methylphenyl)-1-octanone

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

1-(2-Hydroxy-3-methylphenyl)-1-octanone
SpectraBase Compound ID 3pcyGiQy2LZ
InChI InChI=1S/C15H22O2/c1-3-4-5-6-7-11-14(16)13-10-8-9-12(2)15(13)17/h8-10,17H,3-7,11H2,1-2H3
InChIKey MCNANYUEMAUEDI-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BMRP74DIalr
Name 1-(2-Hydroxy-3-methylphenyl)-1-octanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.161979946 u
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-3-4-5-6-7-11-14(16)13-10-8-9-12(2)15(13)17/h8-10,17H,3-7,11H2,1-2H3
InChIKey MCNANYUEMAUEDI-UHFFFAOYSA-N
Molecular Weight 234.339 g/mol
SMILES C(CCCCCCC)(=O)C=1C(=C(C=CC1)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829563