| SpectraBase Compound ID | ANvsjtBzBwG |
|---|---|
| InChI | InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3 |
| InChIKey | TVMXDCGIABBOFY-UHFFFAOYSA-N |
| Mol Weight | 114.23 g/mol |
| Molecular Formula | C8H18 |
| Exact Mass | 114.140851 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JHjdQfMrYem |
|---|---|
| Name | Octane |
| CAS Registry Number | 111-65-9 |
| Classification | Fuel |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 114.140850580 u |
| Formula | C8H18 |
| InChI | InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3 |
| InChIKey | TVMXDCGIABBOFY-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 114.232 g/mol |
| Nominal Mass | 114 u |
| Retention Index | 800 |
| SMILES | C(CCCC)CCC |
| SPLASH | splash10-052f-9000000000-b57fdef6ac7d602e7433 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | n-Octane |
| Technique | GC/MS |
| Wiley ID | DD2024_034957 |