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5-iodo-2,2'-o-isopropylidene-.alpha.-d-isosaccharino-1,4-lactone
SpectraBase Compound ID 1BDlJXtxYuo
InChI InChI=1S/C9H13IO4/c1-8(2)12-5-9(14-8)3-6(4-10)13-7(9)11/h6H,3-5H2,1-2H3/t6-,9-/m0/s1
InChIKey AEQMACSCNLHHFK-RCOVLWMOSA-N
Mol Weight 312.1 g/mol
Molecular Formula C9H13IO4
Exact Mass 311.985854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKXDNET8vYw
Name 5-iodo-2,2'-o-isopropylidene-.alpha.-d-isosaccharino-1,4-lactone
Alternate Name(s) (5S,8S)-8-(iodomethyl)-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-6-one
CAS Registry Number 106267-97-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13IO4
InChI InChI=1S/C9H13IO4/c1-8(2)12-5-9(14-8)3-6(4-10)13-7(9)11/h6H,3-5H2,1-2H3/t6-,9-/m0/s1
InChIKey AEQMACSCNLHHFK-RCOVLWMOSA-N
Molecular Weight 312.103 g/mol
SMILES [C@@]12(C(O[C@@](C2)(CI)[H])=O)OC(C)(C)OC1
SPLASH splash10-0002-0290000000-d30910e81d09e1c82af5
Source of Spectrum J-52-1054-8
Wiley ID 1312793