| SpectraBase Compound ID | K5xFzGNEGpO |
|---|---|
| InChI | InChI=1S/C14H28O3/c1-4-6-8-9-10-14(15)17-13(3)12-16-11-7-5-2/h13H,4-12H2,1-3H3 |
| InChIKey | UHAIVMFZLBUEKA-UHFFFAOYSA-N |
| Mol Weight | 244.37 g/mol |
| Molecular Formula | C14H28O3 |
| Exact Mass | 244.203845 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LNZUWDlkzq2 |
|---|---|
| Name | 1-Butoxypropan-2-yl heptanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.203844759 u |
| Formula | C14H28O3 |
| InChI | InChI=1S/C14H28O3/c1-4-6-8-9-10-14(15)17-13(3)12-16-11-7-5-2/h13H,4-12H2,1-3H3 |
| InChIKey | UHAIVMFZLBUEKA-UHFFFAOYSA-N |
| Molecular Weight | 244.375 g/mol |
| SMILES | CCCCOCC(C)OC(CCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925419 |