| SpectraBase Compound ID | Bc6R6g5fSQB |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-3-4-5-6(2)7(8)9/h5H,3-4H2,1-2H3,(H,8,9)/b6-5+ |
| InChIKey | AKOVMBAFZSPEQU-AATRIKPKSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IQMpcANYbta |
|---|---|
| Name | 2-Hexenoic acid, 2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.083729624 u |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-3-4-5-6(2)7(8)9/h5H,3-4H2,1-2H3,(H,8,9)/b6-5+ |
| InChIKey | AKOVMBAFZSPEQU-AATRIKPKSA-N |
| SMILES | CCC\C=C\(C(O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951255 |