| SpectraBase Compound ID | 1s6EFKikkTQ |
|---|---|
| InChI | InChI=1S/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3 |
| InChIKey | CHBAWFGIXDBEBT-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 | Dn1zrJqmJSB |
|---|---|
| Name | Heptane, 4-methyl- |
| CAS Registry Number | 589-53-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H18 |
| InChI | InChI=1S/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3 |
| InChIKey | CHBAWFGIXDBEBT-UHFFFAOYSA-N |
| Molecular Weight | 114.232 g/mol |
| SMILES | CC(CCC)CCC |
| SPLASH | splash10-006x-9000000000-5d11e12c49da017ee787 |
| Source of Spectrum | AA-0-413-1 |
| Synonyms | (N-C3H7)2CHCH3 4-Methylheptane EINECS 209-650-1 NSC 73953 |
| Wiley ID | 3350 |