| SpectraBase Compound ID | 5E74Ot3VeB5 |
|---|---|
| InChI | InChI=1S/C7H16O2/c1-6(2)5-7(9)3-4-8/h6-9H,3-5H2,1-2H3/t7-/m1/s1 |
| InChIKey | CXIXEMXKCTZXTQ-SSDOTTSWSA-N |
| Mol Weight | 132.2 g/mol |
| Molecular Formula | C7H16O2 |
| Exact Mass | 132.11503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4WzP7hNPmx |
|---|---|
| Name | (S/R)-5-Methylhexane-1,3-diol |
| Alternate Name(s) | (3S)-5-methyl-1,3-hexanediol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H16O2 |
| InChI | InChI=1S/C7H16O2/c1-6(2)5-7(9)3-4-8/h6-9H,3-5H2,1-2H3/t7-/m1/s1 |
| InChIKey | CXIXEMXKCTZXTQ-SSDOTTSWSA-N |
| Molecular Weight | 132.203 g/mol |
| SMILES | OCC[C@](CC(C)C)(O)[H] |
| SPLASH | splash10-056r-9000000000-60f6a27fbe33262a973f |
| Source of Spectrum | KD-13-624-5 |
| Wiley ID | 1635152 |