| SpectraBase Compound ID | 7SPzfQlwq72 |
|---|---|
| InChI | InChI=1S/C12H22O5/c1-6-15-10(13)8-9(11(14)16-7-2)17-12(3,4)5/h9H,6-8H2,1-5H3 |
| InChIKey | OCDCUDLTLYTFNP-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 | DE28PnHVXsC |
|---|---|
| Name | Diethyl 2-(T-butoxy)butane-1,4-dioate |
| 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/c1-6-15-10(13)8-9(11(14)16-7-2)17-12(3,4)5/h9H,6-8H2,1-5H3 |
| InChIKey | OCDCUDLTLYTFNP-UHFFFAOYSA-N |
| Molecular Weight | 246.303 g/mol |
| SMILES | C(C(CC(=O)OCC)OC(C)(C)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984638 |