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4-Hydroxy-1-phenylocten-3-one

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

4-Hydroxy-1-phenylocten-3-one
SpectraBase Compound ID 7LUswdIJxAB
InChI InChI=1S/C14H18O2/c1-2-3-9-13(15)14(16)11-10-12-7-5-4-6-8-12/h4-8,10-11,13,15H,2-3,9H2,1H3/b11-10+
InChIKey XDRLRDSPPYEERE-ZHACJKMWSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4TDuHEGKW2L
Name 4-Hydroxy-1-phenylocten-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.130679818 u
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-2-3-9-13(15)14(16)11-10-12-7-5-4-6-8-12/h4-8,10-11,13,15H,2-3,9H2,1H3/b11-10+
InChIKey XDRLRDSPPYEERE-ZHACJKMWSA-N
Molecular Weight 218.296 g/mol
SMILES C(\C=C\C1=CC=CC=C1)(=O)C(O)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954282