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4-Hydroxy-7-phenyl-3-heptanone

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

4-Hydroxy-7-phenyl-3-heptanone
SpectraBase Compound ID 7WbvOcp5duY
InChI InChI=1S/C13H18O2/c1-2-12(14)13(15)10-6-9-11-7-4-3-5-8-11/h3-5,7-8,13,15H,2,6,9-10H2,1H3
InChIKey ASHWFTRMDVBPLI-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cbq9vLIi0VN
Name 4-Hydroxy-7-phenyl-3-heptanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-2-12(14)13(15)10-6-9-11-7-4-3-5-8-11/h3-5,7-8,13,15H,2,6,9-10H2,1H3
InChIKey ASHWFTRMDVBPLI-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES C(=O)(C(O)CCCC1=CC=CC=C1)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958016