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1,2-o,o'-Isopropylideneglycerol, 3-carboethoxymethylamido-N-phthaloylaminoethylphosphate

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1,2-o,o'-Isopropylideneglycerol, 3-carboethoxymethylamido-N-phthaloylaminoethylphosphate
SpectraBase Compound ID 4eUApzhmieA
InChI InChI=1S/C20H27N2O9P/c1-4-27-17(23)11-21-32(26,30-13-14-12-28-20(2,3)31-14)29-10-9-22-18(24)15-7-5-6-8-16(15)19(22)25/h5-8,14H,4,9-13H2,1-3H3,(H,21,26)
InChIKey WLMXTEYJEIIQCC-UHFFFAOYSA-N
Mol Weight 470.41 g/mol
Molecular Formula C20H27N2O9P
Exact Mass 470.145417 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K75HqmFlfaf
Name 1,2-o,o'-Isopropylideneglycerol, 3-carboethoxymethylamido-N-phthaloylaminoethylphosphate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.145417446 u
Formula C20H27N2O9P
InChI InChI=1S/C20H27N2O9P/c1-4-27-17(23)11-21-32(26,30-13-14-12-28-20(2,3)31-14)29-10-9-22-18(24)15-7-5-6-8-16(15)19(22)25/h5-8,14H,4,9-13H2,1-3H3,(H,21,26)
InChIKey WLMXTEYJEIIQCC-UHFFFAOYSA-N
Molecular Weight 470.415 g/mol
SMILES N(P(OCC1COC(O1)(C)C)(OCCN1C(c2ccccc2C1=O)=O)=O)CC(=O)OCC