| SpectraBase Compound ID | 8mjPPTzQ2EJ |
|---|---|
| InChI | InChI=1S/C27H45NO3/c1-2-30-23-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-27(29)31-25-26-20-19-22-28-24-26/h3,5,19-20,22,24H,2,4,6-18,21,23,25H2,1H3/b5-3- |
| InChIKey | PVPWDTVOBPTHPP-HYXAFXHYSA-N |
| Mol Weight | 431.7 g/mol |
| Molecular Formula | C27H45NO3 |
| Exact Mass | 431.339944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BeOv8TPkGBU |
|---|---|
| Name | Picolinyl 19-ethoxy-nonadec-9-enoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 431.339944310 u |
| Formula | C27H45NO3 |
| InChI | InChI=1S/C27H45NO3/c1-2-30-23-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-27(29)31-25-26-20-19-22-28-24-26/h3,5,19-20,22,24H,2,4,6-18,21,23,25H2,1H3/b5-3- |
| InChIKey | PVPWDTVOBPTHPP-HYXAFXHYSA-N |
| Molecular Weight | 431.661 g/mol |
| SMILES | C(CC(=O)OCC1=CC=CN=C1)CCCCC\C=C/CCCCCCCCCOCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965824 |