![(3aR,3bR,7R,8aS)-7-Iodomethyl-2,3b-dimethyl-hexahydro-8-oxa-2,7a-diaza-cyclopenta[a]indene-1,3-dione](/api/spectrum/6OPCoqt8DuE/structure.png?h=300&w=458 "(3aR,3bR,7R,8aS)-7-Iodomethyl-2,3b-dimethyl-hexahydro-8-oxa-2,7a-diaza-cyclopenta[a]indene-1,3-dione")
| SpectraBase Compound ID | ET2Bz9NEO6r |
|---|---|
| InChI | InChI=1S/C12H17IN2O3/c1-12-5-3-4-7(6-13)15(12)18-9-8(12)10(16)14(2)11(9)17/h7-9H,3-6H2,1-2H3/t7-,8-,9+,12-/m1/s1 |
| InChIKey | PWWUIFYRKXHJHZ-KZFFXBSXSA-N |
| Mol Weight | 364.18 g/mol |
| Molecular Formula | C12H17IN2O3 |
| Exact Mass | 364.028387 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6OPCoqt8DuE |
|---|---|
| Name | (3aR,3bR,7R,8aS)-7-Iodomethyl-2,3b-dimethyl-hexahydro-8-oxa-2,7a-diaza-cyclopenta[a]indene-1,3-dione |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H17IN2O3 |
| InChI | InChI=1S/C12H17IN2O3/c1-12-5-3-4-7(6-13)15(12)18-9-8(12)10(16)14(2)11(9)17/h7-9H,3-6H2,1-2H3/t7-,8-,9+,12-/m1/s1 |
| InChIKey | PWWUIFYRKXHJHZ-KZFFXBSXSA-N |
| Molecular Weight | 364.183 g/mol |
| SMILES | [C@@]12([C@@](C(=O)N(C2=O)C)(ON2[C@@]1(CCC[C@@]2(CI)[H])C)[H])[H] |
| SPLASH | splash10-00di-2093000000-ca5ba7c4d59ce8ba2ef4 |
| Source of Spectrum | KC-57-1125-12 |
| Synonyms | (3aS,6R,9aR,9bR)-6-(iodomethyl)-2,9a-dimethylhexahydropyrrolo[3',4':4,5]isoxazolo[2,3-a]pyridine-1,3(2H,3aH)-dione exo-7-Iodomethyl-2,3b-dimethyl-8-oxa-2,7a-diazacyclopenta[a]indene-1,3-dione (3aS,6R,9aR,9bR)-6-(iodomethyl)-2,9a-dimethyl-3a,6,7,8,9,9b-hexahydropyrrolo[2,3][1,2]oxazolo[2,4-a]pyridine-1,3-dione (3aS,6R,9aR,9bR)-6-(iodomethyl)-2,9a-dimethyl-3a,6,7,8,9,9b-hexahydropyrrolo[2,3]isoxazolo[2,4-a]pyridine-1,3-dione (3aS,6R,9aR,9bR)-6-(iodanylmethyl)-2,9a-dimethyl-3a,6,7,8,9,9b-hexahydropyrrolo[2,3][1,2]oxazolo[2,4-a]pyridine-1,3-dione |
| Wiley ID | 1622874 |