| SpectraBase Compound ID | Jiinkod72ms |
|---|---|
| InChI | InChI=1S/C7H10/c1-4-6-7(3)5-2/h4-6H,1-2H2,3H3/b7-6+ |
| InChIKey | NEVFABBVOIJXHE-VOTSOKGWSA-N |
| Mol Weight | 94.16 g/mol |
| Molecular Formula | C7H10 |
| Exact Mass | 94.07825 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FLlm5clGTdt |
|---|---|
| Name | (E)-3-Methyl-1,3,5-hexatriene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 94.078250322 u |
| Formula | C7H10 |
| InChI | InChI=1S/C7H10/c1-4-6-7(3)5-2/h4-6H,1-2H2,3H3/b7-6+ |
| InChIKey | NEVFABBVOIJXHE-VOTSOKGWSA-N |
| Molecular Weight | 94.157 g/mol |
| SMILES | C\C(=C/C=C)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921848 |