| SpectraBase Compound ID | 1vJjqx15b9q |
|---|---|
| InChI | InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h2-4H,1,5-6H2,(H,8,9)/b4-3+ |
| InChIKey | HHLIJJJAKAFXJB-ONEGZZNKSA-N |
| Mol Weight | 126.15 g/mol |
| Molecular Formula | C7H10O2 |
| Exact Mass | 126.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CYj6V21M9QY |
|---|---|
| Name | (E,E)-Hepta-4,6-dienoic_acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.068079560 u |
| Formula | C7H10O2 |
| InChI | InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h2-4H,1,5-6H2,(H,8,9)/b4-3+ |
| InChIKey | HHLIJJJAKAFXJB-ONEGZZNKSA-N |
| Molecular Weight | 126.155 g/mol |
| SMILES | C(=O)(CC\C=C\C=C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944132 |