| SpectraBase Compound ID | LfTR8XIz9JV |
|---|---|
| InChI | InChI=1S/C11H22O3/c1-5-7-13-8-10(4)14-11(12)9(3)6-2/h9-10H,5-8H2,1-4H3 |
| InChIKey | DMOPKWRLWYZPEE-UHFFFAOYSA-N |
| Mol Weight | 202.29 g/mol |
| Molecular Formula | C11H22O3 |
| Exact Mass | 202.156895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7QgxAMboeYW |
|---|---|
| Name | 1-Propoxypropan-2-yl 2-methylbutanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.156894565 u |
| Formula | C11H22O3 |
| InChI | InChI=1S/C11H22O3/c1-5-7-13-8-10(4)14-11(12)9(3)6-2/h9-10H,5-8H2,1-4H3 |
| InChIKey | DMOPKWRLWYZPEE-UHFFFAOYSA-N |
| Molecular Weight | 202.294 g/mol |
| SMILES | C(C)(COCCC)OC(=O)C(C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971982 |