| SpectraBase Compound ID | CjLqIFOjFRj |
|---|---|
| InChI | InChI=1S/C18H30O4/c19-17(21-13-15-7-1-2-8-15)11-5-6-12-18(20)22-14-16-9-3-4-10-16/h15-16H,1-14H2 |
| InChIKey | ZYYFTJXAZOMAFG-UHFFFAOYSA-N |
| Mol Weight | 310.43 g/mol |
| Molecular Formula | C18H30O4 |
| Exact Mass | 310.214409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | iMy8qq5CN9 |
|---|---|
| Name | Adipic acid, dicyclopentylmethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.214409442 u |
| Formula | C18H30O4 |
| InChI | InChI=1S/C18H30O4/c19-17(21-13-15-7-1-2-8-15)11-5-6-12-18(20)22-14-16-9-3-4-10-16/h15-16H,1-14H2 |
| InChIKey | ZYYFTJXAZOMAFG-UHFFFAOYSA-N |
| SMILES | C1CCC(C1)COC(=O)CCCCC(OCC1CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988767 |