| SpectraBase Compound ID | 3yp4VCP1e8Y |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-4-12-19-15(17)10-8-7-9-11-16(18)20-13-14(5-2)6-3/h14H,4-13H2,1-3H3 |
| InChIKey | VSCLVUXRCIBQCB-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7b19x4oaGYY |
|---|---|
| Name | Pimelic acid, 2-ethylbutyl propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-4-12-19-15(17)10-8-7-9-11-16(18)20-13-14(5-2)6-3/h14H,4-13H2,1-3H3 |
| InChIKey | VSCLVUXRCIBQCB-UHFFFAOYSA-N |
| SMILES | C(OCC(CC)CC)(=O)CCCCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939351 |