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Dibenzyl ( 5'-acetoxy-6'-methyl-5',6'-dihydro-2H-pyran-2'-yl)malonate

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Dibenzyl ( 5'-acetoxy-6'-methyl-5',6'-dihydro-2H-pyran-2'-yl)malonate
SpectraBase Compound ID 8bLK8Uv1TkH
InChI InChI=1S/C25H26O7/c1-17-21(32-18(2)26)13-14-22(31-17)23(24(27)29-15-19-9-5-3-6-10-19)25(28)30-16-20-11-7-4-8-12-20/h3-14,17,21-23H,15-16H2,1-2H3
InChIKey LQWHRQHCOSIOFE-UHFFFAOYSA-N
Mol Weight 438.48 g/mol
Molecular Formula C25H26O7
Exact Mass 438.167853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LLr565ktrx3
Name Dibenzyl ( 5'-acetoxy-6'-methyl-5',6'-dihydro-2H-pyran-2'-yl)malonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.167853170 u
Formula C25H26O7
InChI InChI=1S/C25H26O7/c1-17-21(32-18(2)26)13-14-22(31-17)23(24(27)29-15-19-9-5-3-6-10-19)25(28)30-16-20-11-7-4-8-12-20/h3-14,17,21-23H,15-16H2,1-2H3
InChIKey LQWHRQHCOSIOFE-UHFFFAOYSA-N
Molecular Weight 438.476 g/mol
SMILES C1(C(C(OCC=2C=CC=CC2)=O)C(OCC=2C=CC=CC2)=O)OC(C)C(C=C1)OC(=O)C