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Toluene-4-sulfonic acid, 2-benzyloxy-3-hydroxy-1-hydroxymethyl-propyl ester
SpectraBase Compound ID 1OALZG48MX4
InChI InChI=1S/C18H22O6S/c1-14-7-9-16(10-8-14)25(21,22)24-18(12-20)17(11-19)23-13-15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3
InChIKey WMKVWMQQXIJOLO-UHFFFAOYSA-N
Mol Weight 366.43 g/mol
Molecular Formula C18H22O6S
Exact Mass 366.11371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fllzZ6V96j
Name Toluene-4-sulfonic acid, 2-benzyloxy-3-hydroxy-1-hydroxymethyl-propyl ester
CAS Registry Number 118653-93-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O6S
InChI InChI=1S/C18H22O6S/c1-14-7-9-16(10-8-14)25(21,22)24-18(12-20)17(11-19)23-13-15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3
InChIKey WMKVWMQQXIJOLO-UHFFFAOYSA-N
Molecular Weight 366.428 g/mol
SMILES OCC(C(CO)OS(c1ccc(C)cc1)(=O)=O)OCc1ccccc1
SPLASH splash10-0006-9200000000-fa4176c634e9f7e1efce
Synonyms (1,4-dihydroxy-3-phenylmethoxybutan-2-yl) 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (1,4-dihydroxy-3-phenylmethoxybutan-2-yl) ester 4-Methylbenzenesulfonic acid (2-benzoxy-3-hydroxy-1-methylol-propyl) ester [2-benzyloxy-3-hydroxy-1-(hydroxymethyl)propyl] 4-methylbenzenesulfonate
Wiley ID 1482817