| SpectraBase Compound ID | 77Yc77sfFXI |
|---|---|
| InChI | InChI=1S/C15H28O5/c1-4-6-7-8-9-13(3)20-15(17)12-18-11-14(16)19-10-5-2/h13H,4-12H2,1-3H3 |
| InChIKey | CAZHEEBBKSYQTH-UHFFFAOYSA-N |
| Mol Weight | 288.38 g/mol |
| Molecular Formula | C15H28O5 |
| Exact Mass | 288.193674 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 52o537KWKw6 |
|---|---|
| Name | Diglycolic acid, 2-octyl propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.193673997 u |
| Formula | C15H28O5 |
| InChI | InChI=1S/C15H28O5/c1-4-6-7-8-9-13(3)20-15(17)12-18-11-14(16)19-10-5-2/h13H,4-12H2,1-3H3 |
| InChIKey | CAZHEEBBKSYQTH-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCCC)(=O)OC(C)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858776 |