| SpectraBase Compound ID | Ibab3TyxqiL |
|---|---|
| InChI | InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-5H,1,6H2,2H3/b5-4- |
| InChIKey | FFACAHMRMSJQDK-PLNGDYQASA-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 | Jz1IUbW8goD |
|---|---|
| Name | Methyl (Z)-3,5-hexadienoate |
| 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/c1-3-4-5-6-7(8)9-2/h3-5H,1,6H2,2H3/b5-4- |
| InChIKey | FFACAHMRMSJQDK-PLNGDYQASA-N |
| Molecular Weight | 126.155 g/mol |
| SMILES | C(=O)(OC)C\C=C/C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.897448 |