| SpectraBase Compound ID | 8RQwVoDnchY |
|---|---|
| InChI | InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h3H,1,4-5H2,(H,7,8) |
| InChIKey | FEXCPDFDTUXECI-UHFFFAOYSA-N |
| Mol Weight | 112.13 g/mol |
| Molecular Formula | C6H8O2 |
| Exact Mass | 112.052429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JBeAZ6tOeHX |
|---|---|
| Name | 4,5-Hexadienoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.052429496 u |
| Formula | C6H8O2 |
| InChI | InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h3H,1,4-5H2,(H,7,8) |
| InChIKey | FEXCPDFDTUXECI-UHFFFAOYSA-N |
| Molecular Weight | 112.128 g/mol |
| SMILES | C(=C=C)CCC(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964739 |