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2-Cyclohexen-3-ol-1-one, 2-propioyl-
SpectraBase Compound ID 91vbprkvIDl
InChI InChI=1S/C9H12O3/c1-2-6(10)9-7(11)4-3-5-8(9)12/h11H,2-5H2,1H3
InChIKey ROVGIVWUAMEQQN-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bo5bToQNCkh
Name 2-Cyclohexen-3-ol-1-one, 2-propioyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 168.078644243 u
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-2-6(10)9-7(11)4-3-5-8(9)12/h11H,2-5H2,1H3
InChIKey ROVGIVWUAMEQQN-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES C1CC(=C(C(C1)=O)C(CC)=O)O