| SpectraBase Compound ID | Lr4uFSV3oMQ |
|---|---|
| InChI | InChI=1S/C8H16O3/c1-6(9)4-5-7(2)11-8(3)10/h6-7,9H,4-5H2,1-3H3/t6-,7+/m1/s1/i3D3 |
| InChIKey | KWZUXBQCEVQMIN-OXYNTMIISA-N |
| Mol Weight | 163.23 g/mol |
| Molecular Formula | C8H13D3O3 |
| Exact Mass | 163.128775 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KKwibYPgkjB |
|---|---|
| Name | (2R,5S)-5-(2,2,2-Trideuterioacetoxy)-2-hexanol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H13D3O3 |
| InChI | InChI=1S/C8H16O3/c1-6(9)4-5-7(2)11-8(3)10/h6-7,9H,4-5H2,1-3H3/t6-,7+/m1/s1/i3D3 |
| InChIKey | KWZUXBQCEVQMIN-OXYNTMIISA-N |
| Molecular Weight | 163.231 g/mol |
| SMILES | O[C@@](CC[C@@](OC(=O)C([D])([D])[D])(C)[H])(C)[H] |
| SPLASH | splash10-0uxr-9800000000-4fd36120f95d1f8f6713 |
| Source of Spectrum | F-68-2221-21 |
| Synonyms | 2,2,2-Trideuterioacetic acid[(1S,4R)-4-hydroxy-1-methyl-pentyl]ester 2,2,2-Trideuterioacetic acid[(2S,5R)-5-hydroxyhexan-2-yl]ester [(1S,4R)-4-Hydroxy-1-methyl-pentyl]2,2,2-trideuterioacetate [(2S,5R)-5-Hydroxyhexan-2-yl]2,2,2-trideuterioacetate [(2S,5R)-5-Oxidanylhexan-2-yl]2,2,2-trideuterioethanoate 2,2,2-Trideuterioacetic acid [(2S,5R)-5-hydroxyhexan-2-yl] ester [(2S,5R)-5-Hydroxyhexan-2-yl] 2,2,2-trideuterioacetate [(1S,4R)-4-Hydroxy-1-methyl-pentyl] 2,2,2-trideuterioacetate [(2S,5R)-5-Oxidanylhexan-2-yl] 2,2,2-trideuterioethanoate |
| Wiley ID | 1572011 |