| SpectraBase Compound ID | CcWUHFYN8Gh |
|---|---|
| InChI | InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,6-7H,1,4-5H2,2H3/b7-6+ |
| InChIKey | FMAMSYPJXSEYSW-VOTSOKGWSA-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 | 6iytQcIYrq4 |
|---|---|
| Name | 1,4-Heptadiene |
| 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/h3,6-7H,1,4-5H2,2H3/b7-6+ |
| InChIKey | FMAMSYPJXSEYSW-VOTSOKGWSA-N |
| Molecular Weight | 96.173 g/mol |
| SMILES | C=CC\C=C\CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937376 |