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(rs)-3-Methyl-4-[2-(4-fluorophenyl)-2-oxoethyl]cyclopent-2-en-1-one
SpectraBase Compound ID 9YSc754vSmM
InChI InChI=1S/C14H13FO2/c1-9-6-13(16)7-11(9)8-14(17)10-2-4-12(15)5-3-10/h2-6,11H,7-8H2,1H3
InChIKey HAALGXOGHHOFIQ-UHFFFAOYSA-N
Mol Weight 232.25 g/mol
Molecular Formula C14H13FO2
Exact Mass 232.089958 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6KpGVYYXzYd
Name (rs)-3-Methyl-4-[2-(4-fluorophenyl)-2-oxoethyl]cyclopent-2-en-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.089957820 u
Formula C14H13FO2
InChI InChI=1S/C14H13FO2/c1-9-6-13(16)7-11(9)8-14(17)10-2-4-12(15)5-3-10/h2-6,11H,7-8H2,1H3
InChIKey HAALGXOGHHOFIQ-UHFFFAOYSA-N
Molecular Weight 232.254 g/mol
SMILES C1(=CC(=O)CC1CC(C1=CC=C(C=C1)F)=O)C
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