| SpectraBase Compound ID | IbuFPfKNRHk |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-6-21-16(19)13-11-9-7-8-10-12-14-17(20)22-15(2)18(3,4)5/h15H,6-14H2,1-5H3 |
| InChIKey | FYPWJQIYEQTBDB-UHFFFAOYSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C18H34O4 |
| Exact Mass | 314.24571 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9GcENNW66sQ |
|---|---|
| Name | Sebacic acid, 3,3-dimethylbut-2-yl ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.245709571 u |
| Formula | C18H34O4 |
| InChI | InChI=1S/C18H34O4/c1-6-21-16(19)13-11-9-7-8-10-12-14-17(20)22-15(2)18(3,4)5/h15H,6-14H2,1-5H3 |
| InChIKey | FYPWJQIYEQTBDB-UHFFFAOYSA-N |
| SMILES | C(CCCCCC(OC(C(C)(C)C)C)=O)CCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.990431 |