| SpectraBase Compound ID | JBbAL8Z1I5Z |
|---|---|
| InChI | InChI=1S/C12H22O5/c1-4-15-10(9-12(14)17-6-3)7-8-11(13)16-5-2/h10H,4-9H2,1-3H3 |
| InChIKey | ABTQWTDFSKREGT-UHFFFAOYSA-N |
| Mol Weight | 246.3 g/mol |
| Molecular Formula | C12H22O5 |
| Exact Mass | 246.146724 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 914ShkzsaHt |
|---|---|
| Name | Diethyl ester of 3-ethoxyhexanedioic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.146723803 u |
| Formula | C12H22O5 |
| InChI | InChI=1S/C12H22O5/c1-4-15-10(9-12(14)17-6-3)7-8-11(13)16-5-2/h10H,4-9H2,1-3H3 |
| InChIKey | ABTQWTDFSKREGT-UHFFFAOYSA-N |
| Molecular Weight | 246.303 g/mol |
| SMILES | C(CC(CCC(=O)OCC)OCC)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94626 |