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Heptanoic acid, 7-(diphenylphosphinyl)-6-oxo-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Heptanoic acid, 7-(diphenylphosphinyl)-6-oxo-, methyl ester
SpectraBase Compound ID 8SxWxsVIEnF
InChI InChI=1S/C20H23O4P/c1-24-20(22)15-9-8-10-17(21)16-25(23,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-7,11-14H,8-10,15-16H2,1H3
InChIKey CCIBDCWUAVDRII-UHFFFAOYSA-N
Mol Weight 358.37 g/mol
Molecular Formula C20H23O4P
Exact Mass 358.133396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BuNTGoT2M2E
Name Heptanoic acid, 7-(diphenylphosphinyl)-6-oxo-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 358.133396215 u
Formula C20H23O4P
InChI InChI=1S/C20H23O4P/c1-24-20(22)15-9-8-10-17(21)16-25(23,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-7,11-14H,8-10,15-16H2,1H3
InChIKey CCIBDCWUAVDRII-UHFFFAOYSA-N
Molecular Weight 358.374 g/mol
SMILES C(P(=O)(C1=CC=CC=C1)C=1C=CC=CC1)C(=O)CCCCC(=O)OC