| SpectraBase Compound ID | G5VNK0vlPLm |
|---|---|
| InChI | InChI=1S/C12H22O5/c1-3-8-16-11(13)6-4-5-7-12(14)17-10-9-15-2/h3-10H2,1-2H3 |
| InChIKey | MEYZVRPAZIKERB-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 | 4ZC8zxXZc0O |
|---|---|
| Name | Adipic acid, 2-methoxyethyl propyl 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/c1-3-8-16-11(13)6-4-5-7-12(14)17-10-9-15-2/h3-10H2,1-2H3 |
| InChIKey | MEYZVRPAZIKERB-UHFFFAOYSA-N |
| Molecular Weight | 246.303 g/mol |
| SMILES | C(CCC(=O)OCCOC)CC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961693 |