| SpectraBase Compound ID | Duhm5Pxlvay |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-5-14-21-17(19)12-10-8-6-7-9-11-13-18(20)22-16(4)15(2)3/h15-16H,5-14H2,1-4H3 |
| InChIKey | KJWGQDSUPXQFAJ-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 | KnE6NhirWeV |
|---|---|
| Name | Sebacic acid, 3-methylbut-2-yl propyl 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/c1-5-14-21-17(19)12-10-8-6-7-9-11-13-18(20)22-16(4)15(2)3/h15-16H,5-14H2,1-4H3 |
| InChIKey | KJWGQDSUPXQFAJ-UHFFFAOYSA-N |
| SMILES | C(C(OC(C(C)C)C)=O)CCCCCCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985599 |