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(5R)-5-Bromo-5-deoxy-1-O-(3,5-dinitrobenzoyl)-5-fluoro-2-O-formyl-5-iodo-3,4-O-isopropylidene-D-arabinitol
SpectraBase Compound ID HKSwI3ubwL3
InChI InChI=1S/C16H15BrFIN2O10/c1-15(2)30-12(13(31-15)16(17,18)19)11(29-7-22)6-28-14(23)8-3-9(20(24)25)5-10(4-8)21(26)27/h3-5,7,11-13H,6H2,1-2H3/t11-,12+,13+,16+/m1/s1
InChIKey GVWUMVVPFUEDAR-DVZHBHJUSA-N
Mol Weight 621.11 g/mol
Molecular Formula C16H15BrFIN2O10
Exact Mass 619.893881 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GR5GxoR5Bii
Name (5R)-5-Bromo-5-deoxy-1-O-(3,5-dinitrobenzoyl)-5-fluoro-2-O-formyl-5-iodo-3,4-O-isopropylidene-D-arabinitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15BrFIN2O10
InChI InChI=1S/C16H15BrFIN2O10/c1-15(2)30-12(13(31-15)16(17,18)19)11(29-7-22)6-28-14(23)8-3-9(20(24)25)5-10(4-8)21(26)27/h3-5,7,11-13H,6H2,1-2H3/t11-,12+,13+,16+/m1/s1
InChIKey GVWUMVVPFUEDAR-DVZHBHJUSA-N
Molecular Weight 621.107 g/mol
SMILES C(OC(c1cc(cc(c1)N(=O)=O)N(=O)=O)=O)[C@@](OC=O)([C@@]1(OC(O[C@@]1([C@@](I)(F)Br)[H])(C)C)[H])[H]
SPLASH splash10-0002-0901202000-f95c8a49dd765c9c0cf6
Source of Spectrum KD-15-14-7
Synonyms (5R)-5-bromo-5-deoxy-1-O-(3,5-dinitrobenzoyl)-5-fluoro-2-O-formyl-5-iodo-3,4-O-(1-methylethylidene)-D-arabinitol
Wiley ID 1636639