| SpectraBase Compound ID | B9YAhbGmVHU |
|---|---|
| InChI | InChI=1S/C9H18/c1-4-7-8-9(5-2)6-3/h5H,4,6-8H2,1-3H3/b9-5+ |
| InChIKey | JUUIRFQGSUFDPY-WEVVVXLNSA-N |
| Mol Weight | 126.24 g/mol |
| Molecular Formula | C9H18 |
| Exact Mass | 126.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B5WZUp1vfp1 |
|---|---|
| Name | 3-Ethyl-2-heptene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.140850580 u |
| Formula | C9H18 |
| InChI | InChI=1S/C9H18/c1-4-7-8-9(5-2)6-3/h5H,4,6-8H2,1-3H3/b9-5+ |
| InChIKey | JUUIRFQGSUFDPY-WEVVVXLNSA-N |
| Molecular Weight | 126.243 g/mol |
| SMILES | C\C=C\(CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962785 |