| SpectraBase Compound ID | G2PhZsru4H3 |
|---|---|
| InChI | InChI=1S/C9H18/c1-8(2)6-5-7-9(3)4/h5-6,8-9H,7H2,1-4H3 |
| InChIKey | KDISTZUHDQPXDE-UHFFFAOYSA-N |
| Mol Weight | 126.24 g/mol |
| Molecular Formula | C9H18 |
| Exact Mass | 126.140851 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | xvD2GIpsZU |
|---|---|
| Name | 2,6-Dimethyl-3-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/c1-8(2)6-5-7-9(3)4/h5-6,8-9H,7H2,1-4H3 |
| InChIKey | KDISTZUHDQPXDE-UHFFFAOYSA-N |
| Molecular Weight | 126.243 g/mol |
| SMILES | CC(C=CCC(C)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.988348 |