| SpectraBase Compound ID | 2s2GTAzn6zU |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-2-3-13-20-16(18)11-7-8-12-17(19)21-14-15-9-5-4-6-10-15/h15H,2-14H2,1H3 |
| InChIKey | XLLVMKSDLQKRBB-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 | GaeDMoQQtpj |
|---|---|
| Name | Adipic acid, cyclohexylmethyl butyl 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/c1-2-3-13-20-16(18)11-7-8-12-17(19)21-14-15-9-5-4-6-10-15/h15H,2-14H2,1H3 |
| InChIKey | XLLVMKSDLQKRBB-UHFFFAOYSA-N |
| SMILES | C(=O)(CCCCC(OCCCC)=O)OCC1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932977 |