| SpectraBase Compound ID | CxtRpzc4dV2 |
|---|---|
| InChI | InChI=1S/C9H16/c1-5-6-9(4)7-8(2)3/h6-7H,5H2,1-4H3/b9-6+ |
| InChIKey | FFLHUMMPCUSQSJ-RMKNXTFCSA-N |
| Mol Weight | 124.23 g/mol |
| Molecular Formula | C9H16 |
| Exact Mass | 124.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DAiYaqHX9Oz |
|---|---|
| Name | 2,4-Heptadiene, 2,4-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.125200515 u |
| Formula | C9H16 |
| InChI | InChI=1S/C9H16/c1-5-6-9(4)7-8(2)3/h6-7H,5H2,1-4H3/b9-6+ |
| InChIKey | FFLHUMMPCUSQSJ-RMKNXTFCSA-N |
| Molecular Weight | 124.227 g/mol |
| SMILES | C(\C(=C\CC)C)=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959668 |