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3-[3-(1-Methyl-2,5-dioxolanyl)propyl]cyclohex-2-en-1-one
SpectraBase Compound ID FidEJsLJCZ2
InChI InChI=1S/C13H20O3/c1-13(15-8-9-16-13)7-3-5-11-4-2-6-12(14)10-11/h10H,2-9H2,1H3
InChIKey GVGYKMWOISRZCY-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KbJRb4C45jw
Name 3-[3-(1-Methyl-2,5-dioxolanyl)propyl]cyclohex-2-en-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.141244501 u
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-13(15-8-9-16-13)7-3-5-11-4-2-6-12(14)10-11/h10H,2-9H2,1H3
InChIKey GVGYKMWOISRZCY-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C1(C=C(CCC1)CCCC1(OCCO1)C)=O