| SpectraBase Compound ID | HOjnbztW5rG |
|---|---|
| InChI | InChI=1S/C9H18O3/c1-6(2)7(10)9(3,4)8(11)12-5/h6-7,10H,1-5H3 |
| InChIKey | SDBXRSQBXAOFRK-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C9H18O3 |
| Exact Mass | 174.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CLtwDE7YGNj |
|---|---|
| Name | Methyl 3-hydroxy-2,2,4-trimethylpentanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.125594437 u |
| Formula | C9H18O3 |
| InChI | InChI=1S/C9H18O3/c1-6(2)7(10)9(3,4)8(11)12-5/h6-7,10H,1-5H3 |
| InChIKey | SDBXRSQBXAOFRK-UHFFFAOYSA-N |
| Molecular Weight | 174.240 g/mol |
| SMILES | C(C(=O)OC)(C(C(C)C)O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.820526 |