| SpectraBase Compound ID | CF1b32Wqd2t |
|---|---|
| InChI | InChI=1S/C9H20/c1-5-7-9(4)8(3)6-2/h8-9H,5-7H2,1-4H3 |
| InChIKey | MAKRYGRRIKSDES-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 | 4Un4nwZ1h6B |
|---|---|
| Name | Heptane, 3,4-dimethyl- |
| Alternate Name(s) | 3,4-Dimethylheptane NSC 158678 |
| CAS Registry Number | 922-28-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H20 |
| InChI | InChI=1S/C9H20/c1-5-7-9(4)8(3)6-2/h8-9H,5-7H2,1-4H3 |
| InChIKey | MAKRYGRRIKSDES-UHFFFAOYSA-N |
| Molecular Weight | 128.259 g/mol |
| SMILES | CCC(C(CCC)C)C |
| SPLASH | splash10-052f-9000000000-be3268fbb7eb474c366f |
| Source of Spectrum | JX-2015-6-1469 |
| Wiley ID | 1728057 |