| SpectraBase Compound ID | F4nDWzR7UXL |
|---|---|
| InChI | InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h6-8H,4-5H2,1-3H3/b7-6+ |
| InChIKey | YMNTZRCUPAYGLG-VOTSOKGWSA-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 | 5SWQErKpEtm |
|---|---|
| Name | 3-Heptene, 5-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/h6-8H,4-5H2,1-3H3/b7-6+ |
| InChIKey | YMNTZRCUPAYGLG-VOTSOKGWSA-N |
| Molecular Weight | 112.216 g/mol |
| SMILES | CCC(\C=C\CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96424 |