| SpectraBase Compound ID | GOnoJaAzUUD |
|---|---|
| InChI | InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+ |
| InChIKey | XTJLXXCARCJVPJ-TWTPFVCWSA-N |
| Mol Weight | 96.17 g/mol |
| Molecular Formula | C7H12 |
| Exact Mass | 96.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KqOImsn8l2T |
|---|---|
| Name | 2,4-Heptadiene, (E,E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 96.093900386 u |
| Formula | C7H12 |
| InChI | InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+ |
| InChIKey | XTJLXXCARCJVPJ-TWTPFVCWSA-N |
| Molecular Weight | 96.173 g/mol |
| SMILES | C(\C=C\C=C\C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914411 |