| SpectraBase Spectrum ID |
4W4MQHwrBK |
| Name |
Octane |
| Source of Sample |
Sigma-Aldrich Cat. #49452-U |
| CAS Registry Number |
111-65-9 |
| Classification |
Alkanes |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 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 |
| 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 |
| Number of Peaks |
42 |
| RI1 |
800 |
| RI2 |
800 |
| SMILES |
CCCCCCCC |
| SPLASH |
splash10-0006-9000000000-70152078e7eded8fdf6c |
| Sample Comments |
RI1: measured on SLB-5ms (Alkanes)
RI2: measured on Equity-1 (Alkanes) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Octane |
| Wiley ID |
LM_PEST_924 |
