| SpectraBase Compound ID | cPzddnuCNZ |
|---|---|
| InChI | InChI=1S/C11H22O3/c1-10(2,11(3,4)14-6)8-7-9(12)13-5/h7-8H2,1-6H3 |
| InChIKey | YFRORTWZYSUZKK-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 | ChDQcfLmH9v |
|---|---|
| Name | Methyl 5-methoxy-4,4,5-trimethylhexanoate |
| 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/c1-10(2,11(3,4)14-6)8-7-9(12)13-5/h7-8H2,1-6H3 |
| InChIKey | YFRORTWZYSUZKK-UHFFFAOYSA-N |
| Molecular Weight | 202.294 g/mol |
| SMILES | C(CCC(C(C)(C)OC)(C)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987993 |