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D-Glucitol, 3,6-anhydro-4,5-O-(1-methylethylidene)-, 1-(4-methylbenzenesulfonate)
SpectraBase Compound ID 8B0BEIQZ6FC
InChI InChI=1S/C16H22O7S/c1-10-6-4-5-7-13(10)24(18,19)21-8-11(17)14-15-12(9-20-14)22-16(2,3)23-15/h4-7,11-12,14-15,17H,8-9H2,1-3H3
InChIKey MAKQKKHHCWJQKQ-UHFFFAOYSA-N
Mol Weight 358.41 g/mol
Molecular Formula C16H22O7S
Exact Mass 358.108624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Ex6ZtWcZ1T
Name D-Glucitol, 3,6-anhydro-4,5-O-(1-methylethylidene)-, 1-(4-methylbenzenesulfonate)
CAS Registry Number 53577-84-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O7S
InChI InChI=1S/C16H22O7S/c1-10-6-4-5-7-13(10)24(18,19)21-8-11(17)14-15-12(9-20-14)22-16(2,3)23-15/h4-7,11-12,14-15,17H,8-9H2,1-3H3
InChIKey MAKQKKHHCWJQKQ-UHFFFAOYSA-N
Molecular Weight 358.405 g/mol
SMILES OC(C1C2C(OC(O2)(C)C)CO1)COS(c1c(C)cccc1)(=O)=O
SPLASH splash10-0002-1901000000-bbf66ed6b138bbaa39d6
Source of Spectrum AC-74-1391-4
Synonyms 1,4-anhydro-2,3-O-(1-methylethylidene)-6-O-[(2-methylphenyl)sulfonyl]hexitol 3,6-Anhydro-4,5-O-isopropylidene-1-O-p-tolylsulfonyl-D-glucitol Furo[3,4-d]-1,3-dioxole, D-glucitol deriv.
Wiley ID 1346833