| SpectraBase Compound ID | ANIxYuQGuFe |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-17(2,3)13-21-16(19)11-7-10-15(18)20-12-14-8-5-4-6-9-14/h14H,4-13H2,1-3H3 |
| InChIKey | MLKCIIWAILWIFW-UHFFFAOYSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 25E2anfUoaw |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl neopentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-17(2,3)13-21-16(19)11-7-10-15(18)20-12-14-8-5-4-6-9-14/h14H,4-13H2,1-3H3 |
| InChIKey | MLKCIIWAILWIFW-UHFFFAOYSA-N |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OCC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.886964 |