![(3aR,3bR,7R,8aS)-7-Bromomethyl-2,3b-dimethylhexahydro-8-oxa-2,7a-diazacyclopenta[a]indene-1,3-dione](/api/spectrum/7cWJo74iWnZ/structure.png?h=300&w=458 "(3aR,3bR,7R,8aS)-7-Bromomethyl-2,3b-dimethylhexahydro-8-oxa-2,7a-diazacyclopenta[a]indene-1,3-dione")
| SpectraBase Compound ID | 9BTDFOXZnLB |
|---|---|
| InChI | InChI=1S/C12H17BrN2O3/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 | YHTWVFBGXNKMFY-JXVAYASWSA-N |
| Mol Weight | 317.18 g/mol |
| Molecular Formula | C12H17BrN2O3 |
| Exact Mass | 316.042255 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7cWJo74iWnZ |
|---|---|
| Name | (3aR,3bR,7R,8aS)-7-Bromomethyl-2,3b-dimethylhexahydro-8-oxa-2,7a-diazacyclopenta[a]indene-1,3-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H17BrN2O3 |
| InChI | InChI=1S/C12H17BrN2O3/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 | YHTWVFBGXNKMFY-JXVAYASWSA-N |
| Molecular Weight | 317.183 g/mol |
| SMILES | [C@]12([C@](C(=O)N(C2=O)C)(ON2[C@@]1(CCC[C@@]2(CBr)[H])C)[H])[H] |
| SPLASH | splash10-00di-3091000000-fa75f2eb9d296b2a334a |
| Source of Spectrum | KC-57-1126-12 |
| Synonyms | (3aR,6R,9aR,9bS)-6-(bromomethyl)-2,9a-dimethylhexahydropyrrolo[3',4':4,5]isoxazolo[2,3-a]pyridine-1,3(2H,3aH)-dione exo-7-Bromomethyl-2,3b-dimethylhexahydro-8-oxa-2,7a-diazacyclopenta[a]indene-1,3-dione (3aR,6R,9aR,9bS)-6-(bromomethyl)-2,9a-dimethyl-3a,6,7,8,9,9b-hexahydropyrrolo[2,3]isoxazolo[2,4-a]pyridine-1,3-dione (3aR,6R,9aR,9bS)-6-(bromomethyl)-2,9a-dimethyl-3a,6,7,8,9,9b-hexahydropyrrolo[2,3][1,2]oxazolo[2,4-a]pyridine-1,3-dione |
| Wiley ID | 1622870 |