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Methyl 3-hydroxy-2-(p-toluenesulfonyloxy)methyl-12-tetrahydropyranyloxydodecanoate
SpectraBase Compound ID 54vYrhnyWpu
InChI InChI=1S/C26H42O8S/c1-21-14-16-22(17-15-21)35(29,30)34-20-23(26(28)31-2)24(27)12-8-6-4-3-5-7-10-18-32-25-13-9-11-19-33-25/h14-17,23-25,27H,3-13,18-20H2,1-2H3
InChIKey VBMJCNBODDKIPP-UHFFFAOYSA-N
Mol Weight 514.7 g/mol
Molecular Formula C26H42O8S
Exact Mass 514.260039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7s0ugVfDv0x
Name Methyl 3-hydroxy-2-(p-toluenesulfonyloxy)methyl-12-tetrahydropyranyloxydodecanoate
Alternate Name(s) Methyl 3-hydroxy-2-({[(4-methylphenyl)sulfonyl]oxy}methyl)-12-(tetrahydro-2H-pyran-2-yloxy)dodecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O8S
InChI InChI=1S/C26H42O8S/c1-21-14-16-22(17-15-21)35(29,30)34-20-23(26(28)31-2)24(27)12-8-6-4-3-5-7-10-18-32-25-13-9-11-19-33-25/h14-17,23-25,27H,3-13,18-20H2,1-2H3
InChIKey VBMJCNBODDKIPP-UHFFFAOYSA-N
Molecular Weight 514.674 g/mol
SMILES OC(C(COS(c1ccc(cc1)C)(=O)=O)C(=O)OC)CCCCCCCCCOC1OCCCC1
SPLASH splash10-0a59-9100000000-f3bc4fcc22f52c784283
Source of Spectrum E1-38-32-10
Wiley ID 1518103