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3-O-Allyloxycarbonyl-2(S)-O-benzyl-D-glycerol p-methylbenzenesulfonate
SpectraBase Compound ID 5tOYtbsekCa
InChI InChI=1S/C21H24O7S/c1-3-13-25-21(22)27-15-19(26-14-18-7-5-4-6-8-18)16-28-29(23,24)20-11-9-17(2)10-12-20/h3-12,19H,1,13-16H2,2H3/t19-/m0/s1
InChIKey RGPDAJXMIRBOTM-IBGZPJMESA-N
Mol Weight 420.48 g/mol
Molecular Formula C21H24O7S
Exact Mass 420.124274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRaUM9OV7cI
Name 3-O-Allyloxycarbonyl-2(S)-O-benzyl-D-glycerol p-methylbenzenesulfonate
Alternate Name(s) (S)-3-(((allyloxy)carbonyl)oxy)-2-(benzyloxy)propyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O7S
InChI InChI=1S/C21H24O7S/c1-3-13-25-21(22)27-15-19(26-14-18-7-5-4-6-8-18)16-28-29(23,24)20-11-9-17(2)10-12-20/h3-12,19H,1,13-16H2,2H3/t19-/m0/s1
InChIKey RGPDAJXMIRBOTM-IBGZPJMESA-N
Literature Reference DOI 10.1021/ol202270g
Molecular Weight 420.476 g/mol
SMILES C([C@@](COS(c1ccc(cc1)C)(=O)=O)(OCc1ccccc1)[H])OC(=O)OCC=C
SPLASH splash10-0006-9500000000-d385993934ced65c1319
Source of Spectrum A1-13-5544/SMS7-14
Wiley ID 1753813