| SpectraBase Compound ID | GRq0XhYLv7Y |
|---|---|
| InChI | InChI=1S/C7H10/c1-3-5-7-6-4-2/h4-6H,1,7H2,2H3/b6-4- |
| InChIKey | FVIAULWVNHZLBQ-XQRVVYSFSA-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 | 4Y7VdpfnEhy |
|---|---|
| Name | (cis)-1,2,5-Heptatriene |
| 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/c1-3-5-7-6-4-2/h4-6H,1,7H2,2H3/b6-4- |
| InChIKey | FVIAULWVNHZLBQ-XQRVVYSFSA-N |
| Molecular Weight | 94.157 g/mol |
| SMILES | C(=C=C)C\C=C/C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.853707 |