| SpectraBase Compound ID | FMBeszBeNob |
|---|---|
| InChI | InChI=1S/C9H20O2/c1-4-5-7(2)9(11)8(3)6-10/h7-11H,4-6H2,1-3H3/t7-,8-,9+/m1/s1 |
| InChIKey | XFGZFWSLZQSDBW-HLTSFMKQSA-N |
| Mol Weight | 160.26 g/mol |
| Molecular Formula | C9H20O2 |
| Exact Mass | 160.14633 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CGEsqYTLNzt |
|---|---|
| Name | (2R,3S,4R)-2,4-dimethylheptane-1,3-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H20O2 |
| InChI | InChI=1S/C9H20O2/c1-4-5-7(2)9(11)8(3)6-10/h7-11H,4-6H2,1-3H3/t7-,8-,9+/m1/s1 |
| InChIKey | XFGZFWSLZQSDBW-HLTSFMKQSA-N |
| Molecular Weight | 160.257 g/mol |
| SMILES | OC[C@]([C@]([C@@](CCC)(C)[H])(O)[H])(C)[H] |
| SPLASH | splash10-0abl-9100000000-1bb274646b485702f374 |
| Source of Spectrum | J-58-340-5 |
| Wiley ID | 1156960 |