| SpectraBase Compound ID | EKx9ujXPZXr |
|---|---|
| InChI | InChI=1S/C10H22O2/c1-7(2)10(12)9(4)5-8(3)6-11/h7-12H,5-6H2,1-4H3/t8-,9+,10+/m0/s1 |
| InChIKey | POSMSTCLBZDLEH-IVZWLZJFSA-N |
| Mol Weight | 174.28 g/mol |
| Molecular Formula | C10H22O2 |
| Exact Mass | 174.16198 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FPp00Cyaifx |
|---|---|
| Name | (2S,4R,5R)-2,4,6-Trimethylheptane-1,5-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H22O2 |
| InChI | InChI=1S/C10H22O2/c1-7(2)10(12)9(4)5-8(3)6-11/h7-12H,5-6H2,1-4H3/t8-,9+,10+/m0/s1 |
| InChIKey | POSMSTCLBZDLEH-IVZWLZJFSA-N |
| Molecular Weight | 174.284 g/mol |
| SMILES | O[C@@]([C@@](C[C@@](CO)(C)[H])(C)[H])(C(C)C)[H] |
| SPLASH | splash10-0006-9100000000-cc98a613fd55e706bb09 |
| Source of Spectrum | F-52-5911-9 |
| Wiley ID | 796454 |