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Propanedioic acid, 3-[(4-methoxyphenyl)methoxy]-2-[[(4-methylphenyl)sulfonyl]oxy]propyl methyl ester, (R)-
SpectraBase Compound ID ZJfAZigIPg
InChI InChI=1S/C22H26O9S/c1-16-4-10-20(11-5-16)32(25,26)31-19(15-30-22(24)12-21(23)28-3)14-29-13-17-6-8-18(27-2)9-7-17/h4-11,19H,12-15H2,1-3H3/t19-/m1/s1
InChIKey LNZARNALEIEZNN-LJQANCHMSA-N
Mol Weight 466.5 g/mol
Molecular Formula C22H26O9S
Exact Mass 466.129754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A70IXFraEQ
Name Propanedioic acid, 3-[(4-methoxyphenyl)methoxy]-2-[[(4-methylphenyl)sulfonyl]oxy]propyl methyl ester, (R)-
CAS Registry Number 131072-39-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O9S
InChI InChI=1S/C22H26O9S/c1-16-4-10-20(11-5-16)32(25,26)31-19(15-30-22(24)12-21(23)28-3)14-29-13-17-6-8-18(27-2)9-7-17/h4-11,19H,12-15H2,1-3H3/t19-/m1/s1
InChIKey LNZARNALEIEZNN-LJQANCHMSA-N
Molecular Weight 466.501 g/mol
SMILES [C@@](OS(c1ccc(cc1)C)(=O)=O)(COC(CC(=O)OC)=O)(COCc1ccc(cc1)OC)[H]
SPLASH splash10-05fr-3900000000-70cc8817fad5ba24b74f
Source of Spectrum F-46-5984-32
Synonyms 1-((2R)-3-[(4-methoxybenzyl)oxy]-2-{[(4-methylphenyl)sulfonyl]oxy}propyl) 3-methyl malonate Methyl[(R)-3-(4-methoxy-benzyloxy)-2-(4-tolunesulfonyloxy)-propyl]malonate
Wiley ID 1391886