| SpectraBase Compound ID | 4kkCxHqK5EL |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-5-6-7-9-14(4)20-16(18)11-8-10-15(17)19-12-13(2)3/h13-14H,5-12H2,1-4H3 |
| InChIKey | AVFLOQVPIWCGES-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 | 7GIT8gqcN0B |
|---|---|
| Name | Glutaric acid, 2-heptyl isobutyl 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/c1-5-6-7-9-14(4)20-16(18)11-8-10-15(17)19-12-13(2)3/h13-14H,5-12H2,1-4H3 |
| InChIKey | AVFLOQVPIWCGES-UHFFFAOYSA-N |
| SMILES | CC(OC(CCCC(OCC(C)C)=O)=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.810184 |