| SpectraBase Compound ID | Fflt3wyY4St |
|---|---|
| InChI | InChI=1S/C14H22O4/c15-13(17-11-5-3-6-11)9-1-2-10-14(16)18-12-7-4-8-12/h11-12H,1-10H2 |
| InChIKey | CTOUAUNAXDPUCH-UHFFFAOYSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C14H22O4 |
| Exact Mass | 254.151809 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9w4IkHvC3S8 |
|---|---|
| Name | Adipic acid, dicyclobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.151809184 u |
| Formula | C14H22O4 |
| InChI | InChI=1S/C14H22O4/c15-13(17-11-5-3-6-11)9-1-2-10-14(16)18-12-7-4-8-12/h11-12H,1-10H2 |
| InChIKey | CTOUAUNAXDPUCH-UHFFFAOYSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | C1CC(C1)OC(CCCCC(=O)OC1CCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97463 |