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(5S)-5-Chloro-5-deoxy-1-O-(3,5-dinitrobenzoyl)-2-O-formyl-5-iodo-3,4-O-isopropylidene-D-arabinitol
SpectraBase Compound ID 4BtlqkjY0yF
InChI InChI=1S/C16H16ClIN2O10/c1-16(2)29-12(13(30-16)14(17)18)11(28-7-21)6-27-15(22)8-3-9(19(23)24)5-10(4-8)20(25)26/h3-5,7,11-14H,6H2,1-2H3/t11-,12+,13+,14+/m1/s1
InChIKey SUJINHGZUSYFRO-RFGFWPKPSA-N
Mol Weight 558.67 g/mol
Molecular Formula C16H16ClIN2O10
Exact Mass 557.953817 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChHCRyExZKR
Name (5S)-5-Chloro-5-deoxy-1-O-(3,5-dinitrobenzoyl)-2-O-formyl-5-iodo-3,4-O-isopropylidene-D-arabinitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16ClIN2O10
InChI InChI=1S/C16H16ClIN2O10/c1-16(2)29-12(13(30-16)14(17)18)11(28-7-21)6-27-15(22)8-3-9(19(23)24)5-10(4-8)20(25)26/h3-5,7,11-14H,6H2,1-2H3/t11-,12+,13+,14+/m1/s1
InChIKey SUJINHGZUSYFRO-RFGFWPKPSA-N
Molecular Weight 558.665 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)(Cl)[H])[H])(C)C)[H])[H]
SPLASH splash10-0002-0920070000-47cb656cba2e8d91237d
Source of Spectrum QF-9-5806-77
Synonyms (5S)-5-chloro-5-deoxy-1-O-(3,5-dinitrobenzoyl)-2-O-formyl-5-iodo-3,4-O-(1-methylethylidene)-D-arabinitol
Wiley ID 1559060