| SpectraBase Compound ID | 8F1YUkM0PWc |
|---|---|
| InChI | InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3,6H,1-2,5,7-8H2 |
| InChIKey | XWATUFMZTKDTRB-UHFFFAOYSA-N |
| Mol Weight | 108.18 g/mol |
| Molecular Formula | C8H12 |
| Exact Mass | 108.0939 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 | IhduIAWotmE |
|---|---|
| Name | Octa-1,2,7-triene |
| 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/h3,6H,1-2,5,7-8H2 |
| InChIKey | XWATUFMZTKDTRB-UHFFFAOYSA-N |
| Molecular Weight | 108.184 g/mol |
| SMILES | C(=C=C)CCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94037 |