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2-Cyclohexen-1-one, 3-hydroxy-5-(2-methoxyphenyl)-2-(1-oxobutyl)-

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

2-Cyclohexen-1-one, 3-hydroxy-5-(2-methoxyphenyl)-2-(1-oxobutyl)-
SpectraBase Compound ID 2zoVCxAMhQ8
InChI InChI=1S/C17H20O4/c1-3-6-13(18)17-14(19)9-11(10-15(17)20)12-7-4-5-8-16(12)21-2/h4-5,7-8,11,19H,3,6,9-10H2,1-2H3
InChIKey OOALTVWAEWYXPQ-UHFFFAOYSA-N
Mol Weight 288.34 g/mol
Molecular Formula C17H20O4
Exact Mass 288.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1yLQ59Mw0Tj
Name 2-Cyclohexen-1-one, 3-hydroxy-5-(2-methoxyphenyl)-2-(1-oxobutyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.136159120 u
Formula C17H20O4
InChI InChI=1S/C17H20O4/c1-3-6-13(18)17-14(19)9-11(10-15(17)20)12-7-4-5-8-16(12)21-2/h4-5,7-8,11,19H,3,6,9-10H2,1-2H3
InChIKey OOALTVWAEWYXPQ-UHFFFAOYSA-N
Molecular Weight 288.343 g/mol
SMILES OC1=C(C(CC(C2=C(C=CC=C2)OC)C1)=O)C(CCC)=O