| SpectraBase Spectrum ID |
4H1ir6e5rM |
| Name |
4-Methylheptane |
| CAS Registry Number |
589-53-7 |
| 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/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3 |
| InChIKey |
CHBAWFGIXDBEBT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
114.232 g/mol |
| Nominal Mass |
114 u |
| Quality |
988 |
| Retention Index |
784 |
| SMILES |
C(CCC)(CCC)C |
| SPLASH |
splash10-006x-9000000000-30116c4db09ab6088081 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-methylheptane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009653 |
