| SpectraBase Compound ID | DsXNOzGWHGp |
|---|---|
| InChI | InChI=1S/C9H16/c1-5-7-8-9(3,4)6-2/h5-6H,1-2,7-8H2,3-4H3 |
| InChIKey | YWOCVROBRVNVFV-UHFFFAOYSA-N |
| Mol Weight | 124.23 g/mol |
| Molecular Formula | C9H16 |
| Exact Mass | 124.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JOoSqZv6qXO |
|---|---|
| Name | 1,6-Heptadiene, 3,3-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/c1-5-7-8-9(3,4)6-2/h5-6H,1-2,7-8H2,3-4H3 |
| InChIKey | YWOCVROBRVNVFV-UHFFFAOYSA-N |
| Molecular Weight | 124.227 g/mol |
| SMILES | C(C(C=C)(C)C)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934874 |