| SpectraBase Compound ID | 8kiPbIebEOq |
|---|---|
| InChI | InChI=1S/C10H18O3/c1-8(7-11)5-6-9(12)13-10(2,3)4/h5,11H,6-7H2,1-4H3/b8-5- |
| InChIKey | BNCBBZJVQJQFPU-YVMONPNESA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C10H18O3 |
| Exact Mass | 186.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EP6L1pfRWDG |
|---|---|
| Name | Tert-butyl 5-hydroxy-4-methyl-3-pentenoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.125594437 u |
| Formula | C10H18O3 |
| InChI | InChI=1S/C10H18O3/c1-8(7-11)5-6-9(12)13-10(2,3)4/h5,11H,6-7H2,1-4H3/b8-5- |
| InChIKey | BNCBBZJVQJQFPU-YVMONPNESA-N |
| Molecular Weight | 186.251 g/mol |
| SMILES | C(OC(C)(C)C)(=O)C\C=C/(CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959292 |