| SpectraBase Compound ID | KDLMFaffwH9 |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-6-14(13(4)5)20-16(18)10-8-7-9-15(17)19-11-12(2)3/h12-14H,6-11H2,1-5H3 |
| InChIKey | RQPWSDGFMWEQKU-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 | 9UTgivBLRb6 |
|---|---|
| Name | Adipic acid, isobutyl 2-methylpent-3-yl 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/c1-6-14(13(4)5)20-16(18)10-8-7-9-15(17)19-11-12(2)3/h12-14H,6-11H2,1-5H3 |
| InChIKey | RQPWSDGFMWEQKU-UHFFFAOYSA-N |
| SMILES | C(C(OC(C(C)C)CC)=O)CCCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900392 |