| SpectraBase Compound ID | DlSH8h9TmIz |
|---|---|
| InChI | InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h5,8H,2,4,6-7H2,1,3H3 |
| InChIKey | QDMFTFWKTYXBIW-UHFFFAOYSA-N |
| Mol Weight | 112.22 g/mol |
| Molecular Formula | C8H16 |
| Exact Mass | 112.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I7IR6SFIPKI |
|---|---|
| Name | 1-Heptene, 3-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.125200515 u |
| Formula | C8H16 |
| InChI | InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h5,8H,2,4,6-7H2,1,3H3 |
| InChIKey | QDMFTFWKTYXBIW-UHFFFAOYSA-N |
| Molecular Weight | 112.216 g/mol |
| SMILES | C(C(C=C)C)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952514 |