| SpectraBase Compound ID | G2oxMXe9tvN |
|---|---|
| InChI | InChI=1S/C11H22O3/c1-9(2)7-11(12)14-8-10(3)5-6-13-4/h9-10H,5-8H2,1-4H3 |
| InChIKey | JJUFYIUMRUMHLH-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 | 8RX9x4yYuh3 |
|---|---|
| Name | Isovaleric acid, 4-methoxy-2-methylbutyl ester |
| 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/c1-9(2)7-11(12)14-8-10(3)5-6-13-4/h9-10H,5-8H2,1-4H3 |
| InChIKey | JJUFYIUMRUMHLH-UHFFFAOYSA-N |
| Molecular Weight | 202.294 g/mol |
| SMILES | CC(CC(=O)OCC(CCOC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.993414 |