| SpectraBase Compound ID | JlI8QctdLot |
|---|---|
| InChI | InChI=1S/C11H22O4/c1-4-14-11(15-5-2)9-7-6-8-10(12)13-3/h11H,4-9H2,1-3H3 |
| InChIKey | UBRJMRKKKNKVPH-UHFFFAOYSA-N |
| Mol Weight | 218.29 g/mol |
| Molecular Formula | C11H22O4 |
| Exact Mass | 218.151809 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | uTSwm6T0Gg |
|---|---|
| Name | Methyl ester of 6,6-diethoxyhexanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.151809184 u |
| Formula | C11H22O4 |
| InChI | InChI=1S/C11H22O4/c1-4-14-11(15-5-2)9-7-6-8-10(12)13-3/h11H,4-9H2,1-3H3 |
| InChIKey | UBRJMRKKKNKVPH-UHFFFAOYSA-N |
| Molecular Weight | 218.293 g/mol |
| SMILES | C(=O)(OC)CCCCC(OCC)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948256 |