| SpectraBase Compound ID | LJssFFDnZDo |
|---|---|
| InChI | InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3 |
| InChIKey | LAIUFBWHERIJIH-UHFFFAOYSA-N |
| Mol Weight | 114.23 g/mol |
| Molecular Formula | C8H18 |
| Exact Mass | 114.140851 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jh3vA3o73zV |
|---|---|
| Name | Heptane, 3-methyl- |
| Alternate Name(s) | 2-Ethylhexane 3-Methylheptane EINECS 209-660-6 NSC 24845 |
| CAS Registry Number | 589-81-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H18 |
| InChI | InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3 |
| InChIKey | LAIUFBWHERIJIH-UHFFFAOYSA-N |
| Molecular Weight | 114.232 g/mol |
| SMILES | CC(CCCC)CC |
| SPLASH | splash10-052f-9000000000-c5382d21d41e652b228a |
| Source of Spectrum | PR-939-0-0 |
| Wiley ID | 1124925 |