| SpectraBase Compound ID | 7K8vFw1zOe0 |
|---|---|
| InChI | InChI=1S/C26H48O2/c1-25(2)23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26(27)28-3/h8,10,16,18,25H,4-7,9,11-15,17,19-24H2,1-3H3/b10-8-,18-16- |
| InChIKey | PXMKWMOUFAOJEX-CVQIAKFNSA-N |
| Mol Weight | 392.7 g/mol |
| Molecular Formula | C26H48O2 |
| Exact Mass | 392.365431 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1TLUstOeAur |
|---|---|
| Name | Methyl 23-methyl-tetracosa-5,9-dienoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.365430784 u |
| Formula | C26H48O2 |
| InChI | InChI=1S/C26H48O2/c1-25(2)23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26(27)28-3/h8,10,16,18,25H,4-7,9,11-15,17,19-24H2,1-3H3/b10-8-,18-16- |
| InChIKey | PXMKWMOUFAOJEX-CVQIAKFNSA-N |
| Molecular Weight | 392.668 g/mol |
| SMILES | C(\C=C/CC\C=C/CCCCCCCCCCCCC(C)C)CCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979415 |