| SpectraBase Spectrum ID |
2nXC5UXopsW |
| Name |
3-Methyloctane |
| CAS Registry Number |
2216-33-3 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
128.156500644 u |
| Formula |
C9H20 |
| InChI |
InChI=1S/C9H20/c1-4-6-7-8-9(3)5-2/h9H,4-8H2,1-3H3 |
| InChIKey |
SEEOMASXHIJCDV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
128.259 g/mol |
| Nominal Mass |
128 u |
| Quality |
966 |
| Retention Index |
884 |
| SMILES |
C(CCCCC)(CC)C |
| SPLASH |
splash10-0a4i-9000000000-5bc1beed8ecaf80c48e0 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010646 |
