| SpectraBase Compound ID | 4ETjGSuHFSR |
|---|---|
| InChI | InChI=1S/C26H38O4/c1-2-29-25(27)19-13-5-3-4-6-14-20-26(28)30-24(23-17-11-8-12-18-23)21-22-15-9-7-10-16-22/h8-9,11-12,15,17-18,22,24H,2-7,10,13-14,16,19-21H2,1H3 |
| InChIKey | LEDHELGBXFMMDN-UHFFFAOYSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C26H38O4 |
| Exact Mass | 414.27701 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kvkh7OKhUNl |
|---|---|
| Name | Sebacic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.277009700 u |
| Formula | C26H38O4 |
| InChI | InChI=1S/C26H38O4/c1-2-29-25(27)19-13-5-3-4-6-14-20-26(28)30-24(23-17-11-8-12-18-23)21-22-15-9-7-10-16-22/h8-9,11-12,15,17-18,22,24H,2-7,10,13-14,16,19-21H2,1H3 |
| InChIKey | LEDHELGBXFMMDN-UHFFFAOYSA-N |
| Molecular Weight | 414.586 g/mol |
| SMILES | C(CCCCCCCC(OC(C1=CC=CC=C1)CC1C=CCCC1)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939915 |