| SpectraBase Compound ID | 90Wdx1SKX4Z |
|---|---|
| InChI | InChI=1S/C29H54O2/c1-27(2)25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-29(30)31-28(3)4/h10,12,18,20,27-28H,5-9,11,13-17,19,21-26H2,1-4H3/b12-10-,20-18- |
| InChIKey | XKBQSTDJSISABM-VSEGLXAPSA-N |
| Mol Weight | 434.7 g/mol |
| Molecular Formula | C29H54O2 |
| Exact Mass | 434.412381 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 56rMGGxvIUf |
|---|---|
| Name | I-Propyl 24-methyl-pentacos-5,9-dienoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 434.412380977 u |
| Formula | C29H54O2 |
| InChI | InChI=1S/C29H54O2/c1-27(2)25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-29(30)31-28(3)4/h10,12,18,20,27-28H,5-9,11,13-17,19,21-26H2,1-4H3/b12-10-,20-18- |
| InChIKey | XKBQSTDJSISABM-VSEGLXAPSA-N |
| Molecular Weight | 434.749 g/mol |
| SMILES | C(CC\C=C/CC\C=C/CCCCCCCCCCCCCC(C)C)C(=O)OC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972969 |