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1-O-Benzyl-6-deoxy-6-iodo-2,3:4,5-bis-O-(1-methylethylidene)-1-(2-thiazolyl)-D-glycero-D-gulo-hexitol
SpectraBase Compound ID 5bACJCrtz8W
InChI InChI=1S/C22H28INO5S/c1-21(2)26-15(12-23)16(27-21)17-18(29-22(3,4)28-17)19(20-24-10-11-30-20)25-13-14-8-6-5-7-9-14/h5-11,15-19H,12-13H2,1-4H3/t15-,16-,17+,18-,19-/m1/s1
InChIKey AHWLHLNWIMBBOJ-UJWQCDCRSA-N
Mol Weight 545.43 g/mol
Molecular Formula C22H28INO5S
Exact Mass 545.073289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2aZ4UAxM8m
Name 1-O-Benzyl-6-deoxy-6-iodo-2,3:4,5-bis-O-(1-methylethylidene)-1-(2-thiazolyl)-D-glycero-D-gulo-hexitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28INO5S
InChI InChI=1S/C22H28INO5S/c1-21(2)26-15(12-23)16(27-21)17-18(29-22(3,4)28-17)19(20-24-10-11-30-20)25-13-14-8-6-5-7-9-14/h5-11,15-19H,12-13H2,1-4H3/t15-,16-,17+,18-,19-/m1/s1
InChIKey AHWLHLNWIMBBOJ-UJWQCDCRSA-N
Molecular Weight 545.432 g/mol
SMILES [C@]1([C@]([C@](c2nccs2)(OCc2ccccc2)[H])(OC(O1)(C)C)[H])([C@@]1(OC(C)(C)O[C@@]1(CI)[H])[H])[H]
SPLASH splash10-000x-5496040000-9a19e924e14cae8c4e9a
Source of Spectrum KC-57-4738-20
Wiley ID 1624274