| SpectraBase Compound ID | 36zHFcvikyc |
|---|---|
| InChI | InChI=1S/C8H12/c1-4-6-7-8(3)5-2/h4-7H,1H2,2-3H3/b7-6+,8-5+ |
| InChIKey | HBOBXPNYRYGOCI-ZCOYIIAOSA-N |
| Mol Weight | 108.18 g/mol |
| Molecular Formula | C8H12 |
| Exact Mass | 108.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8hpVUjXex15 |
|---|---|
| Name | (3E,5E)-5-Methylhepta-1,3,5-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/c1-4-6-7-8(3)5-2/h4-7H,1H2,2-3H3/b7-6+,8-5+ |
| InChIKey | HBOBXPNYRYGOCI-ZCOYIIAOSA-N |
| Molecular Weight | 108.184 g/mol |
| SMILES | C\C=C\(\C=C\C=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960009 |