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(5S)-1-O-Benzyl-5-chloro-5-deoxy-2-O-formyl-5-iodo-3,4-O-isopropylidene-D-arabinitol
SpectraBase Compound ID 5G89DGhBdDH
InChI InChI=1S/C16H20ClIO5/c1-16(2)22-13(14(23-16)15(17)18)12(21-10-19)9-20-8-11-6-4-3-5-7-11/h3-7,10,12-15H,8-9H2,1-2H3/t12-,13+,14+,15+/m1/s1
InChIKey IRRVJPYUACSDQH-QPSCCSFWSA-N
Mol Weight 454.69 g/mol
Molecular Formula C16H20ClIO5
Exact Mass 454.004396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qA2SVSamIO
Name (5S)-1-O-Benzyl-5-chloro-5-deoxy-2-O-formyl-5-iodo-3,4-O-isopropylidene-D-arabinitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20ClIO5
InChI InChI=1S/C16H20ClIO5/c1-16(2)22-13(14(23-16)15(17)18)12(21-10-19)9-20-8-11-6-4-3-5-7-11/h3-7,10,12-15H,8-9H2,1-2H3/t12-,13+,14+,15+/m1/s1
InChIKey IRRVJPYUACSDQH-QPSCCSFWSA-N
Molecular Weight 454.688 g/mol
SMILES C(OCc1ccccc1)[C@@](OC=O)([C@@]1(OC(O[C@@]1([C@](I)(Cl)[H])[H])(C)C)[H])[H]
SPLASH splash10-000i-0940500000-7a3d527610211b4a9cc3
Source of Spectrum QF-9-5806-73
Synonyms (5S)-1-O-benzyl-5-chloro-5-deoxy-2-O-formyl-5-iodo-3,4-O-(1-methylethylidene)-D-arabinitol
Wiley ID 1559067