| SpectraBase Compound ID | F6dQw2iZVxu |
|---|---|
| InChI | InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 |
| InChIKey | IMNFDUFMRHMDMM-UHFFFAOYSA-N |
| Mol Weight | 100.2 g/mol |
| Molecular Formula | C7H16 |
| Exact Mass | 100.125201 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1qWeLONGQ93 |
|---|---|
| Name | Heptane |
| CAS Registry Number | 142-82-5 |
| Classification | Chemical |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 100.125200515 u |
| Formula | C7H16 |
| InChI | InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 |
| InChIKey | IMNFDUFMRHMDMM-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 100.205 g/mol |
| Nominal Mass | 100 u |
| Quality | 1000 |
| SMILES | C(CCC)CCC |
| SPLASH | splash10-002f-9000000000-6597377881f2ad0c5ad2 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Wiley ID | DD2024_034682 |