| SpectraBase Compound ID | KqBPMPgwe46 |
|---|---|
| InChI | InChI=1S/C9H16/c1-8(2)6-5-7-9(3)4/h5,8H,6H2,1-4H3 |
| InChIKey | YEMBYDDPQUMWHJ-UHFFFAOYSA-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 | 4eeoYc0LO8f |
|---|---|
| Name | 2,6-Dimethyl-2,3-heptadiene |
| 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/c1-8(2)6-5-7-9(3)4/h5,8H,6H2,1-4H3 |
| InChIKey | YEMBYDDPQUMWHJ-UHFFFAOYSA-N |
| Molecular Weight | 124.227 g/mol |
| SMILES | CC(CC=C=C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945646 |