| SpectraBase Compound ID | Laa8J6uQEla |
|---|---|
| InChI | InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-7H,1,8H2,2H3 |
| InChIKey | PKHBEGZTQNOZLP-UHFFFAOYSA-N |
| Mol Weight | 108.18 g/mol |
| Molecular Formula | C8H12 |
| Exact Mass | 108.0939 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8R94kDqZiMx |
|---|---|
| Name | 1,3,6-Octatriene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 108.093900386 u |
| Formula | C8H12 |
| InChI | InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-7H,1,8H2,2H3 |
| InChIKey | PKHBEGZTQNOZLP-UHFFFAOYSA-N |
| Molecular Weight | 108.184 g/mol |
| SMILES | C=CC=CCC=CC |
| Spectrum/Structure Validation Score (Raman) | 0.946281 |