| SpectraBase Compound ID | EFdPRSI3xF4 |
|---|---|
| InChI | InChI=1S/C9H18/c1-5-6-7-9(4)8(2)3/h5-7H2,1-4H3 |
| InChIKey | PTUNZAOKLBTUBF-UHFFFAOYSA-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 | Lc1aiUDsRoY |
|---|---|
| Name | 2,3-Dimethyl-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/c1-5-6-7-9(4)8(2)3/h5-7H2,1-4H3 |
| InChIKey | PTUNZAOKLBTUBF-UHFFFAOYSA-N |
| Molecular Weight | 126.243 g/mol |
| SMILES | CC(=C(CCCC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974909 |