| SpectraBase Compound ID | IRWlwbtkIvZ |
|---|---|
| InChI | InChI=1S/C12H22O5/c1-3-5-7-16-11(13)9-15-10-12(14)17-8-6-4-2/h3-10H2,1-2H3 |
| InChIKey | GYTOWSMQXHCYNU-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 | HxyZ8MqjPjk |
|---|---|
| Name | Acetic acid, 2,2'-oxybis-, dibutyl ester |
| 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/c1-3-5-7-16-11(13)9-15-10-12(14)17-8-6-4-2/h3-10H2,1-2H3 |
| InChIKey | GYTOWSMQXHCYNU-UHFFFAOYSA-N |
| Molecular Weight | 246.303 g/mol |
| SMILES | C(CCOC(COCC(=O)OCCCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971197 |