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xylo-Heptonic acid, 3,6-anhydro-2,4,7-trideoxy-7-iodo-, ethyl ester
SpectraBase Compound ID 40cBbWgUgWW
InChI InChI=1S/C9H15IO4/c1-2-13-9(12)4-6-3-7(11)8(5-10)14-6/h6-8,11H,2-5H2,1H3/t6-,7-,8-/m1/s1
InChIKey JUZNZGKWTRBGBQ-BWZBUEFSSA-N
Mol Weight 314.12 g/mol
Molecular Formula C9H15IO4
Exact Mass 314.001504 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yYRFGRQMzc
Name xylo-Heptonic acid, 3,6-anhydro-2,4,7-trideoxy-7-iodo-, ethyl ester
Alternate Name(s) cis,cis-2-(iodomethyl)-3-hydroxy-5-[(ethoxycarbonyl)methyl]tetrahydrofuran Ethyl 3,6-anhydro-2,4,7-trideoxy-7-iodo-D-xylo-heptonate
CAS Registry Number 109800-79-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15IO4
InChI InChI=1S/C9H15IO4/c1-2-13-9(12)4-6-3-7(11)8(5-10)14-6/h6-8,11H,2-5H2,1H3/t6-,7-,8-/m1/s1
InChIKey JUZNZGKWTRBGBQ-BWZBUEFSSA-N
Molecular Weight 314.119 g/mol
SMILES O[C@]1([C@](O[C@@](CC(=O)OCC)(C1)[H])(CI)[H])[H]
SPLASH splash10-000w-9620000000-8fadba4a5dcf32d44cba
Source of Spectrum J-52-4069-2
Wiley ID 1314555