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2-Methoxy-2-methyl-3-(diphenylphosphatoxy)-pentanoic-acid

View entire compound with spectra: 2 NMR

2-Methoxy-2-methyl-3-(diphenylphosphatoxy)-pentanoic-acid
SpectraBase Compound ID Bw1KO72FF5r
InChI InChI=1S/C19H23O7P/c1-4-17(19(2,23-3)18(20)21)26-27(22,24-15-11-7-5-8-12-15)25-16-13-9-6-10-14-16/h5-14,17H,4H2,1-3H3,(H,20,21)
InChIKey FSZKPKMCLCNTGY-UHFFFAOYSA-N
Mol Weight 394.36 g/mol
Molecular Formula C19H23O7P
Exact Mass 394.11814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9KR3BimanCE
Name 2-Methoxy-2-methyl-3-(diphenylphosphatoxy)-pentanoic-acid
Comments Computed using HOSE algorithm
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Exact Mass 394.118140072 u
Formula C19H23O7P
InChI InChI=1S/C19H23O7P/c1-4-17(19(2,23-3)18(20)21)26-27(22,24-15-11-7-5-8-12-15)25-16-13-9-6-10-14-16/h5-14,17H,4H2,1-3H3,(H,20,21)
InChIKey FSZKPKMCLCNTGY-UHFFFAOYSA-N
Molecular Weight 394.360 g/mol
SMILES C(=O)(O)C(OC)(C)C(CC)OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1