| SpectraBase Compound ID | 6Var1AG4kPQ |
|---|---|
| InChI | InChI=1S/C7H16O2/c1-2-3-4-5-7(9)6-8/h7-9H,2-6H2,1H3/t7-/m0/s1 |
| InChIKey | GCXZDAKFJKCPGK-ZETCQYMHSA-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 | 1FCWBCH6yy4 |
|---|---|
| Name | (2S)-Heptanediol |
| Alternate Name(s) | 1,1-Heptanediol Heptane-1,1-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H16O2 |
| InChI | InChI=1S/C7H16O2/c1-2-3-4-5-7(9)6-8/h7-9H,2-6H2,1H3/t7-/m0/s1 |
| InChIKey | GCXZDAKFJKCPGK-ZETCQYMHSA-N |
| Molecular Weight | 132.203 g/mol |
| SMILES | O[C@](CO)(CCCCC)[H] |
| SPLASH | splash10-0a4i-9200000000-0ae1ded963adfd8a3f2b |
| Source of Spectrum | QC-8-1748-12 |
| Wiley ID | 869965 |