| SpectraBase Compound ID | 6lhlgpreVXY |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-13(2)11-19-15(17)9-6-10-16(18)20-12-14-7-4-3-5-8-14/h13-14H,3-12H2,1-2H3 |
| InChIKey | HXLONIWEZSABJT-UHFFFAOYSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LbM0HWG26ae |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl isobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-13(2)11-19-15(17)9-6-10-16(18)20-12-14-7-4-3-5-8-14/h13-14H,3-12H2,1-2H3 |
| InChIKey | HXLONIWEZSABJT-UHFFFAOYSA-N |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.842861 |