| SpectraBase Compound ID | 9lKVPwZxiCL |
|---|---|
| InChI | InChI=1S/C16H28N4O2/c1-2-3-4-5-6-12-10-20(18-17-12)13-7-8-19-11-15(21)16(22)14(19)9-13/h10,13-16,21-22H,2-9,11H2,1H3/t13-,14-,15-,16-/m0/s1 |
| InChIKey | KUQCNPRAZWZACI-VGWMRTNUSA-N |
| Mol Weight | 308.43 g/mol |
| Molecular Formula | C16H28N4O2 |
| Exact Mass | 308.221226 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EL0iXLtKkoh |
|---|---|
| Name | (1S,2S,7S,8aS)-7-(4-hexyl-1H-1,2,3-triazol-1-yl)octahydro-1-indolizine-1,2-diol |
| Alternate Name(s) | (1S,2S,7S,8aS)-7-(4-hexyl-1-triazolyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol (1S,2S,7S,8aS)-7-(4-hexyltriazol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol (1S,2S,7S,8aS)-7-(4-hexyl-1,2,3-triazol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H28N4O2 |
| InChI | InChI=1S/C16H28N4O2/c1-2-3-4-5-6-12-10-20(18-17-12)13-7-8-19-11-15(21)16(22)14(19)9-13/h10,13-16,21-22H,2-9,11H2,1H3/t13-,14-,15-,16-/m0/s1 |
| InChIKey | KUQCNPRAZWZACI-VGWMRTNUSA-N |
| Molecular Weight | 308.426 g/mol |
| SMILES | O[C@]1(CN2CC[C@@](C[C@]2([C@@]1(O)[H])[H])([n]1nnc(CCCCCC)c1)[H])[H] |
| SPLASH | splash10-00dr-0900000000-695f7cfbe2f2bd79e59b |
| Source of Spectrum | F-67-9561-10 |
| Wiley ID | 1691365 |