| SpectraBase Compound ID | 6Pmr8rR45wq |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-2-3-12-19-15(17)10-6-7-11-16(18)20-13-14-8-4-5-9-14/h14H,2-13H2,1H3 |
| InChIKey | YFGRAWKMECYVEE-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 | Aspjb9xZLH7 |
|---|---|
| Name | Adipic acid, butyl cyclopentylmethyl 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/c1-2-3-12-19-15(17)10-6-7-11-16(18)20-13-14-8-4-5-9-14/h14H,2-13H2,1H3 |
| InChIKey | YFGRAWKMECYVEE-UHFFFAOYSA-N |
| SMILES | C1CC(COC(=O)CCCCC(OCCCC)=O)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958553 |