| SpectraBase Compound ID | 1VRlCGStk1D |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-6H,7-16H2,1-2H3/b5-3+,6-4+ |
| InChIKey | VJRHCDYOCZWQAE-GGWOSOGESA-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 | F6aiP5ntEQx |
|---|---|
| Name | Sebacic acid, di(but-2-enyl) 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/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-6H,7-16H2,1-2H3/b5-3+,6-4+ |
| InChIKey | VJRHCDYOCZWQAE-GGWOSOGESA-N |
| SMILES | C(CCCCCCCCC(OC\C=C\C)=O)(OC\C=C\C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.994502 |