| SpectraBase Compound ID | 9RxO0wIoKEQ |
|---|---|
| InChI | InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3 |
| InChIKey | BWDBEAQIHAEVLV-UHFFFAOYSA-N |
| Mol Weight | 130.23 g/mol |
| Molecular Formula | C8H18O |
| Exact Mass | 130.135765 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4ZP1cO8bLKg |
|---|---|
| Name | Isooctanol |
| CAS Registry Number | 26952-21-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H18O |
| InChI | InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3 |
| InChIKey | BWDBEAQIHAEVLV-UHFFFAOYSA-N |
| Molecular Weight | 130.231 g/mol |
| SMILES | OCCCCCC(C)C |
| SPLASH | splash10-0a4l-9000000000-57e2507778c52c4f11ad |
| Source of Spectrum | Va-0-0-0 |
| Synonyms | 1-Heptanol, 6-methyl- 6-Methyl-1-heptanol 6-Methylheptan-1-ol |
| Wiley ID | 741125 |