| SpectraBase Spectrum ID |
5XVcE0F5S9Q |
| Name |
Hexane |
| CAS Registry Number |
110-54-3 |
| Classification |
Solvent |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
86.109550451 u |
| Formula |
C6H14 |
| InChI |
InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 |
| InChIKey |
VLKZOEOYAKHREP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
86.178 g/mol |
| Nominal Mass |
86 u |
| Quality |
997 |
| Retention Index |
600 |
| SMILES |
C(CCC)CC |
| SPLASH |
splash10-052f-9000000000-48ed32c1891c9c2090d2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
hexane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007540 |
