| SpectraBase Compound ID | GcbvyJWtwma |
|---|---|
| InChI | InChI=1S/C8H14/c1-4-6-8(3)7-5-2/h4,7H,1,5-6H2,2-3H3/b8-7+ |
| InChIKey | NZXFAMRCCGUQGQ-BQYQJAHWSA-N |
| Mol Weight | 110.2 g/mol |
| Molecular Formula | C8H14 |
| Exact Mass | 110.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fbt3PCES4ug |
|---|---|
| Name | 4-Methyl-1,4-heptadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 110.109550451 u |
| Formula | C8H14 |
| InChI | InChI=1S/C8H14/c1-4-6-8(3)7-5-2/h4,7H,1,5-6H2,2-3H3/b8-7+ |
| InChIKey | NZXFAMRCCGUQGQ-BQYQJAHWSA-N |
| Molecular Weight | 110.200 g/mol |
| SMILES | CC\C=C\(CC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941049 |