| 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 | IIGQtsAF27R |
|---|---|
| Name | octane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H18 |
| InChI | InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3 |
| InChIKey | TVMXDCGIABBOFY-UHFFFAOYSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/cctc.202001158 |
| Molecular Weight | 114.232 g/mol |
| SMILES | CCCCCCCC |
| SPLASH | splash10-0006-9000000000-a9b1fff7c76abdf0215f |
| Source of Spectrum | CCC-12-SM45-octane |
| Wiley ID | 1856140 |