| SpectraBase Compound ID | FjS131f8PlN |
|---|---|
| InChI | InChI=1S/C15H30O3/c1-6-8-10-12(9-7-2)13(11-16)18-14(17)15(3,4)5/h12-13,16H,6-11H2,1-5H3/t12-,13-/m0/s1 |
| InChIKey | CAHKVJGZZQHOIV-STQMWFEESA-N |
| Mol Weight | 258.4 g/mol |
| Molecular Formula | C15H30O3 |
| Exact Mass | 258.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 48Uq6dVUKL0 |
|---|---|
| Name | (2R*,3S*)-3-Propyl-2-(trimethylacetoxy)heptan-1-ol |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H30O3 |
| InChI | InChI=1S/C15H30O3/c1-6-8-10-12(9-7-2)13(11-16)18-14(17)15(3,4)5/h12-13,16H,6-11H2,1-5H3/t12-,13-/m0/s1 |
| InChIKey | CAHKVJGZZQHOIV-STQMWFEESA-N |
| Molecular Weight | 258.402 g/mol |
| SMILES | OC[C@](OC(C(C)(C)C)=O)([C@@](CCC)(CCCC)[H])[H] |
| SPLASH | splash10-0a4u-9410000000-fbb75bb8a80dca416305 |
| Source of Spectrum | J-57-5033-1 |
| Synonyms | (1R,2S)-1-(hydroxymethyl)-2-propylhexyl pivalate 2,2-Dimethylpropanoic acid[(2R,3S)-1-hydroxy-3-propylheptan-2-yl]ester 2,2-Dimethylpropionic acid[(1R,2S)-1-methylol-2-propyl-hexyl]ester [(1R,2S)-1-(hydroxymethyl)-2-propyl-hexyl]2,2-dimethylpropanoate [(2R,3S)-1-hydroxy-3-propylheptan-2-yl]2,2-dimethylpropanoate [(2R,3S)-1-oxidanyl-3-propyl-heptan-2-yl]2,2-dimethylpropanoate 2,2-Dimethylpropanoic acid [(2R,3S)-1-hydroxy-3-propylheptan-2-yl] ester [(2R,3S)-1-hydroxy-3-propylheptan-2-yl] 2,2-dimethylpropanoate [(1R,2S)-1-(hydroxymethyl)-2-propyl-hexyl] 2,2-dimethylpropanoate [(2R,3S)-1-oxidanyl-3-propyl-heptan-2-yl] 2,2-dimethylpropanoate |
| Wiley ID | 1261959 |