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2,2,2-Triethoxy-5-keto-1-oxa-2$L^{5}-phosphacyclopent-3-ene-3,4-dicarboxylic acid dimethyl ester

View entire compound with spectra: 2 NMR

2,2,2-Triethoxy-5-keto-1-oxa-2$L^{5}-phosphacyclopent-3-ene-3,4-dicarboxylic acid dimethyl ester
SpectraBase Compound ID LmomgxJnr9
InChI InChI=1S/C13H21O9P/c1-6-19-23(20-7-2,21-8-3)10(13(16)18-5)9(11(14)17-4)12(15)22-23/h6-8H2,1-5H3
InChIKey HGRWEKLRZLKYNM-UHFFFAOYSA-N
Mol Weight 352.28 g/mol
Molecular Formula C13H21O9P
Exact Mass 352.092319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FW3yxbORzEN
Name 2,2,2-Triethoxy-5-keto-1-oxa-2$L^{5}-phosphacyclopent-3-ene-3,4-dicarboxylic acid dimethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.092319245 u
Formula C13H21O9P
InChI InChI=1S/C13H21O9P/c1-6-19-23(20-7-2,21-8-3)10(13(16)18-5)9(11(14)17-4)12(15)22-23/h6-8H2,1-5H3
InChIKey HGRWEKLRZLKYNM-UHFFFAOYSA-N
Molecular Weight 352.276 g/mol
SMILES C=1(P(OC(C1C(=O)OC)=O)(OCC)(OCC)OCC)C(=O)OC