| SpectraBase Compound ID | K4PWRejfOqY |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-8(2,10)6-4-5-7(9)11-3/h4-5,10H,6H2,1-3H3/b5-4+ |
| InChIKey | PUKJQFLADBZYGI-SNAWJCMRSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 53HRmOLABS3 |
|---|---|
| Name | Methyl 5-hydroxy-5-methyl-2-hexenoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.094294308 u |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-8(2,10)6-4-5-7(9)11-3/h4-5,10H,6H2,1-3H3/b5-4+ |
| InChIKey | PUKJQFLADBZYGI-SNAWJCMRSA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | C(\C=C\CC(O)(C)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.807241 |