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D-Glucitol, 1-deoxy-5-O-(methoxymethyl)-2,4-O-(1-methylethylidene)-, 6-benzoate
SpectraBase Compound ID 9Ii9NgnvsEA
InChI InChI=1S/C18H26O7/c1-12-15(19)16(25-18(2,3)24-12)14(23-11-21-4)10-22-17(20)13-8-6-5-7-9-13/h5-9,12,14-16,19H,10-11H2,1-4H3/t12-,14+,15-,16-/m1/s1
InChIKey KYPHQAHQNGFACL-SLBVQIDZSA-N
Mol Weight 354.4 g/mol
Molecular Formula C18H26O7
Exact Mass 354.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Vj6Kfkwpqc
Name D-Glucitol, 1-deoxy-5-O-(methoxymethyl)-2,4-O-(1-methylethylidene)-, 6-benzoate
CAS Registry Number 83333-49-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O7
InChI InChI=1S/C18H26O7/c1-12-15(19)16(25-18(2,3)24-12)14(23-11-21-4)10-22-17(20)13-8-6-5-7-9-13/h5-9,12,14-16,19H,10-11H2,1-4H3/t12-,14+,15-,16-/m1/s1
InChIKey KYPHQAHQNGFACL-SLBVQIDZSA-N
Molecular Weight 354.399 g/mol
SMILES O[C@]1([C@](OC(O[C@@]1(C)[H])(C)C)([C@](COC(=O)c1ccccc1)(OCOC)[H])[H])[H]
SPLASH splash10-0api-0901000000-7847d010536e3fbf06bf
Source of Spectrum J-47-4728-0
Synonyms 1-O-benzoyl-6-deoxy-2-O-(methoxymethyl)-3,5-O-(1-methylethylidene)-D-glucitol 1-O-benzoyl-6-deoxy-3,5-O-isopropylidene-2-O-(methoxymethyl)-D-glucitol
Wiley ID 1344445