| SpectraBase Compound ID | D52p4O5Vpic |
|---|---|
| InChI | InChI=1S/C10H14O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h4,7-8H,1-3,5-6H2,(H,11,12)/b8-4+ |
| InChIKey | NGUGVTXOGSWINS-XBXARRHUSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2ue2QpDwi3l |
|---|---|
| Name | (E)-4-Cyclohexylidene-2-butenoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.099379689 u |
| Formula | C10H14O2 |
| InChI | InChI=1S/C10H14O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h4,7-8H,1-3,5-6H2,(H,11,12)/b8-4+ |
| InChIKey | NGUGVTXOGSWINS-XBXARRHUSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | C(\C=C\C=C1CCCCC1)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938959 |