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Methyl 3-hydroxy-2-(p-toluenesulfonyloxy)methyl-10-tetrahydropyranyloxydecanoate
SpectraBase Compound ID 5dNevE4Txic
InChI InChI=1S/C24H38O8S/c1-19-12-14-20(15-13-19)33(27,28)32-18-21(24(26)29-2)22(25)10-6-4-3-5-8-16-30-23-11-7-9-17-31-23/h12-15,21-23,25H,3-11,16-18H2,1-2H3
InChIKey BDEMSGPCVZPPIL-UHFFFAOYSA-N
Mol Weight 486.6 g/mol
Molecular Formula C24H38O8S
Exact Mass 486.228739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EWMSSYX6wk6
Name Methyl 3-hydroxy-2-(p-toluenesulfonyloxy)methyl-10-tetrahydropyranyloxydecanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.228739350 u
Formula C24H38O8S
InChI InChI=1S/C24H38O8S/c1-19-12-14-20(15-13-19)33(27,28)32-18-21(24(26)29-2)22(25)10-6-4-3-5-8-16-30-23-11-7-9-17-31-23/h12-15,21-23,25H,3-11,16-18H2,1-2H3
InChIKey BDEMSGPCVZPPIL-UHFFFAOYSA-N
Molecular Weight 486.620 g/mol
SMILES C(OS(C=1C=CC(=CC1)C)(=O)=O)C(C(=O)OC)C(O)CCCCCCCOC1OCCCC1