| SpectraBase Spectrum ID |
Lfi376KFvFX |
| Name |
3-Methylheptane |
| CAS Registry Number |
589-81-1 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
114.140850580 u |
| Formula |
C8H18 |
| InChI |
InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3 |
| InChIKey |
LAIUFBWHERIJIH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
114.232 g/mol |
| Nominal Mass |
114 u |
| Quality |
969 |
| Retention Index |
784 |
| SMILES |
C(CCCC)(CC)C |
| SPLASH |
splash10-052f-9000000000-1c0545e22ef6689daee8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009830 |
