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Benzyl-2-methoxy-2-methyl-3-(diphenylphosphatoxy)-pentanoate

View entire compound with spectra: 2 NMR

Benzyl-2-methoxy-2-methyl-3-(diphenylphosphatoxy)-pentanoate
SpectraBase Compound ID 2NQ8dPSb71f
InChI InChI=1S/C26H29O7P/c1-4-24(26(2,29-3)25(27)30-20-21-14-8-5-9-15-21)33-34(28,31-22-16-10-6-11-17-22)32-23-18-12-7-13-19-23/h5-19,24H,4,20H2,1-3H3
InChIKey FOFHZOCVAHZVHL-UHFFFAOYSA-N
Mol Weight 484.48 g/mol
Molecular Formula C26H29O7P
Exact Mass 484.16509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D78CaCKaFQm
Name Benzyl-2-methoxy-2-methyl-3-(diphenylphosphatoxy)-pentanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.165090265 u
Formula C26H29O7P
InChI InChI=1S/C26H29O7P/c1-4-24(26(2,29-3)25(27)30-20-21-14-8-5-9-15-21)33-34(28,31-22-16-10-6-11-17-22)32-23-18-12-7-13-19-23/h5-19,24H,4,20H2,1-3H3
InChIKey FOFHZOCVAHZVHL-UHFFFAOYSA-N
Molecular Weight 484.485 g/mol
SMILES C(OC(=O)C(C)(OC)C(CC)OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1)C1=CC=CC=C1