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.beta.-D-Mannofuranoside, 1-(benzothiazol-2-ylthio)-2,3:5,6-di-O-isopropylidene-
SpectraBase Compound ID 1kJT0T2EY5Y
InChI InChI=1S/C19H23NO5S2/c1-18(2)21-9-11(23-18)13-14-15(25-19(3,4)24-14)16(22-13)27-17-20-10-7-5-6-8-12(10)26-17/h5-8,11,13-16H,9H2,1-4H3/t11-,13-,14+,15+,16+/m1/s1
InChIKey KHWCETHVXZVYBV-VMMWWAARSA-N
Mol Weight 409.52 g/mol
Molecular Formula C19H23NO5S2
Exact Mass 409.101765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Af89kWkvVpp
Name .beta.-D-Mannofuranoside, 1-(benzothiazol-2-ylthio)-2,3:5,6-di-O-isopropylidene-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23NO5S2
InChI InChI=1S/C19H23NO5S2/c1-18(2)21-9-11(23-18)13-14-15(25-19(3,4)24-14)16(22-13)27-17-20-10-7-5-6-8-12(10)26-17/h5-8,11,13-16H,9H2,1-4H3/t11-,13-,14+,15+,16+/m1/s1
InChIKey KHWCETHVXZVYBV-VMMWWAARSA-N
Molecular Weight 409.515 g/mol
SMILES CC1(O[C@@]2([C@@]([C@@](O[C@@]2([C@@]2(OC(OC2)(C)C)[H])[H])(Sc2nc3ccccc3s2)[H])(O1)[H])[H])C
SPLASH splash10-0frf-7901000000-5fa2531a568b84d598b8
Source of Spectrum U-1993-1215-3
Synonyms 2-[[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]sulfanyl]-1,3-benzothiazole 2-[[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]thio]-1,3-benzothiazole
Wiley ID 765501