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[5-Acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylbutanoate
SpectraBase Compound ID K7oRBk6Brfv
InChI InChI=1S/C17H26O6/c1-9(2)6-14(20)23-17-15(10(3)4)13(22-11(5)19)7-12(8-18)16(17)21/h7,9-10,13,15,17-18H,6,8H2,1-5H3
InChIKey IVEJMWCGEFICJC-UHFFFAOYSA-N
Mol Weight 326.39 g/mol
Molecular Formula C17H26O6
Exact Mass 326.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9eOUDRIBo9u
Name [5-Acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylbutanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.172938551 u
Formula C17H26O6
InChI InChI=1S/C17H26O6/c1-9(2)6-14(20)23-17-15(10(3)4)13(22-11(5)19)7-12(8-18)16(17)21/h7,9-10,13,15,17-18H,6,8H2,1-5H3
InChIKey IVEJMWCGEFICJC-UHFFFAOYSA-N
Molecular Weight 326.389 g/mol
SMILES C(CC(C)C)(=O)OC1C(C(=CC(C1C(C)C)OC(=O)C)CO)=O