| SpectraBase Compound ID | 45d3LUmcrFq |
|---|---|
| InChI | InChI=1S/C7H12/c1-4-5-6-7(2)3/h5,7H,1,6H2,2-3H3 |
| InChIKey | NEYLAVKYYZDLIN-UHFFFAOYSA-N |
| Mol Weight | 96.17 g/mol |
| Molecular Formula | C7H12 |
| Exact Mass | 96.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BfZv3dYDHzE |
|---|---|
| Name | 5-Methyl-1,2-hexadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 97.101725419 u |
| Formula | C7H13 |
| InChI | InChI=1S/C7H12/c1-4-5-6-7(2)3/h5,7H,1,6H2,2-3H3 |
| InChIKey | NEYLAVKYYZDLIN-UHFFFAOYSA-N |
| Molecular Weight | 97.181 g/mol |
| Nominal Mass | 97 u |
| SMILES | [CH3]=C=CCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912468 |