| SpectraBase Spectrum ID |
5XvcpaUA7TE |
| Name |
Octane |
| CAS Registry Number |
111-65-9 |
| Classification |
Fuel |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| 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 |
| Quality |
976 |
| Retention Index |
800 |
| SMILES |
C(CCCC)CCC |
| SPLASH |
splash10-052f-9000000000-f165c581e8d438391526 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Oktan
n-
n-octane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015946 |
