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Diethyl 3-(3'-oxocyclopentenyl)pent-2-enylphosphoate
SpectraBase Compound ID HHeCgSe1ctV
InChI InChI=1S/C12H19O4P/c1-3-15-17(14,16-4-2)9-5-6-11-7-8-12(13)10-11/h5-6,10H,3-4,7-9H2,1-2H3/b6-5-
InChIKey LGFGRDIQWXIUKE-WAYWQWQTSA-N
Mol Weight 258.25 g/mol
Molecular Formula C12H19O4P
Exact Mass 258.102096 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5VIcVAjeEg2
Name Diethyl 3-(3'-oxocyclopentenyl)pent-2-enylphosphoate
Comments Computed using HOSE algorithm
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Exact Mass 258.102096086 u
Formula C12H19O4P
InChI InChI=1S/C12H19O4P/c1-3-15-17(14,16-4-2)9-5-6-11-7-8-12(13)10-11/h5-6,10H,3-4,7-9H2,1-2H3/b6-5-
InChIKey LGFGRDIQWXIUKE-WAYWQWQTSA-N
Molecular Weight 258.254 g/mol
SMILES C(OP(=O)(OCC)C\C=C/C1=CC(=O)CC1)C