| SpectraBase Compound ID | EKMbitLyAoc |
|---|---|
| InChI | InChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3 |
| InChIKey | DOGIHOCMZJUJNR-UHFFFAOYSA-N |
| Mol Weight | 128.26 g/mol |
| Molecular Formula | C9H20 |
| Exact Mass | 128.156501 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | jYn4grNzc |
|---|---|
| Name | Octane, 4-methyl- |
| CAS Registry Number | 2216-34-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H20 |
| InChI | InChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3 |
| InChIKey | DOGIHOCMZJUJNR-UHFFFAOYSA-N |
| Molecular Weight | 128.259 g/mol |
| SMILES | CC(CCCC)CCC |
| SPLASH | splash10-059f-9000000000-4296641c2c21604badbe |
| Source of Spectrum | RB-1982-15886-0 |
| Synonyms | 1,3-Dimethylheptane 4-Methyl-octane EINECS 218-687-2 NSC 23691 |
| Wiley ID | 1131838 |