| SpectraBase Compound ID | IO9RtOWm5aw |
|---|---|
| InChI | InChI=1S/C6H10O2/c1-3-5(2)4-6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+ |
| InChIKey | RSFQOQOSOMBPEJ-SNAWJCMRSA-N |
| Mol Weight | 114.14 g/mol |
| Molecular Formula | C6H10O2 |
| Exact Mass | 114.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C8xCDZgjwxR |
|---|---|
| Name | 2-Pentenoic acid, 3-methyl-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.068079560 u |
| Formula | C6H10O2 |
| InChI | InChI=1S/C6H10O2/c1-3-5(2)4-6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+ |
| InChIKey | RSFQOQOSOMBPEJ-SNAWJCMRSA-N |
| Molecular Weight | 114.144 g/mol |
| SMILES | C(\C=C\(CC)C)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974251 |