| SpectraBase Compound ID | 9UxSALhiVd2 |
|---|---|
| InChI | InChI=1S/C12H22O5/c1-16-11(14)8-6-4-3-5-7-10(13)9-12(15)17-2/h10,13H,3-9H2,1-2H3 |
| InChIKey | SZLTZVUJGVLTSM-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 | 8QlrZeqFuvf |
|---|---|
| Name | Dimethyl 3-hydroxydecanedioate |
| 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/c1-16-11(14)8-6-4-3-5-7-10(13)9-12(15)17-2/h10,13H,3-9H2,1-2H3 |
| InChIKey | SZLTZVUJGVLTSM-UHFFFAOYSA-N |
| Molecular Weight | 246.303 g/mol |
| SMILES | C(OC)(CC(CCCCCCC(OC)=O)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948554 |