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anti-1,2,8-Trideoxy-8-iodo-4,5:6,7-bis-O-(1-methylethylidene)-D-glycero-D-gulo-oct-1-ynitol
SpectraBase Compound ID 84gTBi35aLg
InChI InChI=1S/C14H21IO5/c1-6-8(16)10-12(20-14(4,5)18-10)11-9(7-15)17-13(2,3)19-11/h1,8-12,16H,7H2,2-5H3/t8-,9+,10-,11+,12+/m0/s1
InChIKey OPTJNRFISOREPE-RNWYCLNJSA-N
Mol Weight 396.22 g/mol
Molecular Formula C14H21IO5
Exact Mass 396.043369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5qrEulVSXlx
Name anti-1,2,8-Trideoxy-8-iodo-4,5:6,7-bis-O-(1-methylethylidene)-D-glycero-D-gulo-oct-1-ynitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21IO5
InChI InChI=1S/C14H21IO5/c1-6-8(16)10-12(20-14(4,5)18-10)11-9(7-15)17-13(2,3)19-11/h1,8-12,16H,7H2,2-5H3/t8-,9+,10-,11+,12+/m0/s1
InChIKey OPTJNRFISOREPE-RNWYCLNJSA-N
Molecular Weight 396.221 g/mol
SMILES O[C@@](C#C)([C@]1([C@]([C@@]2(OC(C)(C)O[C@@]2(CI)[H])[H])(OC(C)(C)O1)[H])[H])[H]
SPLASH splash10-0a4i-9320000000-3d4afebacc9a5a350ef6
Source of Spectrum KC-57-4737-18
Wiley ID 1624276