| SpectraBase Spectrum ID |
Az1ReAOY9Mi |
| Name |
Octane |
| CAS Registry Number |
111-65-9 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
114.140850580 u |
| Formula |
C8H18 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3 |
| InChIKey |
TVMXDCGIABBOFY-UHFFFAOYSA-N |
| Molecular Weight |
114.232 g/mol |
| Nominal Mass |
114 u |
| Number of Peaks |
59 |
| SMILES |
C(CCCC)CCC |
| SPLASH |
splash10-0006-9000000000-5d7166d8f06528024e71 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001968 |
