| SpectraBase Compound ID | JeabroxmtLW |
|---|---|
| InChI | InChI=1S/C9H13IO4/c1-9(2)13-7-4(10)3-5(11)6(12)8(7)14-9/h3,5-8,11-12H,1-2H3/t5-,6-,7-,8+/m1/s1 |
| InChIKey | CIUBLGKPGPFSRG-XUTVFYLZSA-N |
| Mol Weight | 312.1 g/mol |
| Molecular Formula | C9H13IO4 |
| Exact Mass | 311.985854 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1anci3ADB4E |
|---|---|
| Name | (3aS,4R,5R,7aS)-7-iodo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H13IO4 |
| InChI | InChI=1S/C9H13IO4/c1-9(2)13-7-4(10)3-5(11)6(12)8(7)14-9/h3,5-8,11-12H,1-2H3/t5-,6-,7-,8+/m1/s1 |
| InChIKey | CIUBLGKPGPFSRG-XUTVFYLZSA-N |
| Molecular Weight | 312.103 g/mol |
| SMILES | O[C@@]1([C@@](C=C([C@@]2([C@]1(OC(O2)(C)C)[H])[H])I)(O)[H])[H] |
| SPLASH | splash10-0m0i-9140000000-0c879417fdb0e005010f |
| Source of Spectrum | F5-3-1957-7 |
| Synonyms | (3aS,4R,5R,7aS)-7-Iodo-2,2-dimethyl-3a,4,5,7a-tetrahydro-benzo[1,3]dioxole-4,5-diol 7-Iodo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol (3aS,4R,5R,7aS)-7-iodo-2,2-dimethyl-3a,4,5,7a-tetrahydrobenzo[d][1,3]dioxole-4,5-diol (3aS,4R,5R,7aS)-7-iodanyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol |
| Wiley ID | 1732344 |