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5-(6-Hydroxy-m-tolyl)-6-methyl-2-heptanone

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

5-(6-Hydroxy-m-tolyl)-6-methyl-2-heptanone
SpectraBase Compound ID 6jQb9ZhDnHo
InChI InChI=1S/C15H22O2/c1-10(2)13(7-6-12(4)16)14-9-11(3)5-8-15(14)17/h5,8-10,13,17H,6-7H2,1-4H3
InChIKey UFWXDPOVAJYDEP-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID FlufFwiFjIj
Name 5-(6-Hydroxy-m-tolyl)-6-methyl-2-heptanone
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/c1-10(2)13(7-6-12(4)16)14-9-11(3)5-8-15(14)17/h5,8-10,13,17H,6-7H2,1-4H3
InChIKey UFWXDPOVAJYDEP-UHFFFAOYSA-N
Molecular Weight 234.339 g/mol
SMILES OC=1C(=CC(=CC1)C)C(CCC(=O)C)C(C)C
Spectrum/Structure Validation Score (Raman) 0.946033