| SpectraBase Compound ID | FP3Rp6VSwUm |
|---|---|
| InChI | InChI=1S/C10H20O3/c1-5-8(11)6-7-9(12)13-10(2,3)4/h8,11H,5-7H2,1-4H3 |
| InChIKey | JGLBPBIRATXCKR-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C10H20O3 |
| Exact Mass | 188.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 66S6V7J987j |
|---|---|
| Name | Tert-butyl 4-hydroxyhexanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.141244501 u |
| Formula | C10H20O3 |
| InChI | InChI=1S/C10H20O3/c1-5-8(11)6-7-9(12)13-10(2,3)4/h8,11H,5-7H2,1-4H3 |
| InChIKey | JGLBPBIRATXCKR-UHFFFAOYSA-N |
| Molecular Weight | 188.267 g/mol |
| SMILES | C(OC(C)(C)C)(=O)CCC(O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978735 |