| SpectraBase Spectrum ID |
BmcIj8To5mB |
| Name |
octane |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. 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 |
| Instrument Name |
Agilent 6890N-Agilent 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.2c00616 |
| Molecular Weight |
114.232 g/mol |
| Quality |
966 |
| SMILES |
C(CCCCCC)C |
| SPLASH |
splash10-052f-9000000000-9bbe8b84214428117318 |
| Source of Spectrum |
JOC-88-SM31-31-3 (DOI: 10.1021/acs.joc.2c00616) |
| Wiley ID |
1912577 |
