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3-Hydroxy-1,9-diphenyl-1-nonanone

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

3-Hydroxy-1,9-diphenyl-1-nonanone
SpectraBase Compound ID Bh5Urta38ES
InChI InChI=1S/C21H26O2/c22-20(17-21(23)19-14-8-4-9-15-19)16-10-2-1-5-11-18-12-6-3-7-13-18/h3-4,6-9,12-15,20,22H,1-2,5,10-11,16-17H2
InChIKey XRVZQSPPOKZHLS-UHFFFAOYSA-N
Mol Weight 310.44 g/mol
Molecular Formula C21H26O2
Exact Mass 310.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C4KjgAepUXn
Name 3-Hydroxy-1,9-diphenyl-1-nonanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.193280075 u
Formula C21H26O2
InChI InChI=1S/C21H26O2/c22-20(17-21(23)19-14-8-4-9-15-19)16-10-2-1-5-11-18-12-6-3-7-13-18/h3-4,6-9,12-15,20,22H,1-2,5,10-11,16-17H2
InChIKey XRVZQSPPOKZHLS-UHFFFAOYSA-N
SMILES C(CC(CCCCCCC=1C=CC=CC1)O)(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872152