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Propanedioic acid, 3-[(4-methoxyphenyl)methoxy]-2-[(methylsulfonyl)oxy]propyl methyl ester, (R)-
SpectraBase Compound ID 3nHGH7MSy2o
InChI InChI=1S/C16H22O9S/c1-22-12-6-4-11(5-7-12)9-24-10-13(25-26(3,20)21)8-14(15(17)18)16(19)23-2/h4-7,13-14H,8-10H2,1-3H3,(H,17,18)/t13-,14?/m1/s1
InChIKey RCKZSQBXHFOPKS-KWCCSABGSA-N
Mol Weight 390.4 g/mol
Molecular Formula C16H22O9S
Exact Mass 390.098453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8kHBia9PsPJ
Name Propanedioic acid, 3-[(4-methoxyphenyl)methoxy]-2-[(methylsulfonyl)oxy]propyl methyl ester, (R)-
CAS Registry Number 131072-38-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O9S
InChI InChI=1S/C16H22O9S/c1-22-12-6-4-11(5-7-12)9-24-10-13(25-26(3,20)21)8-14(15(17)18)16(19)23-2/h4-7,13-14H,8-10H2,1-3H3,(H,17,18)/t13-,14?/m1/s1
InChIKey RCKZSQBXHFOPKS-KWCCSABGSA-N
Molecular Weight 390.403 g/mol
SMILES OC(C(C[C@@](OS(=O)(=O)C)(COCc1ccc(cc1)OC)[H])C(=O)OC)=O
SPLASH splash10-0kmi-3900000000-c41b211f7c339d7e88d8
Source of Spectrum F-46-5984-32
Synonyms Methyl 2-carboxy-2,3-dideoxy-5-O-(4-methoxybenzyl)-4-O-(methylsulfonyl)-L-glycero-pentonate Methyl[(R)-2-methanesulfonyloxy-3-(4-methoxy-benzyloxy)-propyl]malonate
Wiley ID 1364544