| SpectraBase Compound ID | Js0SydLMT5o |
|---|---|
| InChI | InChI=1S/C22H39NO2/c1-4-16-20(24)17-14-12-10-8-6-5-7-9-11-13-15-18-21-23-22(2,3)19-25-21/h6,8,12,14,20,24H,4-5,7,9-11,13,15-19H2,1-3H3/b8-6-,14-12- |
| InChIKey | XDICAQOIIIOMTD-HWXFIQLYSA-N |
| Mol Weight | 349.6 g/mol |
| Molecular Formula | C22H39NO2 |
| Exact Mass | 349.298079 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 249oPk2pTCj |
|---|---|
| Name | 15-Hydroxy-9,12-octadecadienoic acid, dmox derivative |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.298079498 u |
| Formula | C22H39NO2 |
| InChI | InChI=1S/C22H39NO2/c1-4-16-20(24)17-14-12-10-8-6-5-7-9-11-13-15-18-21-23-22(2,3)19-25-21/h6,8,12,14,20,24H,4-5,7,9-11,13,15-19H2,1-3H3/b8-6-,14-12- |
| InChIKey | XDICAQOIIIOMTD-HWXFIQLYSA-N |
| Molecular Weight | 349.559 g/mol |
| SMILES | C=1(CCCCCCC\C=C/C\C=C/CC(CCC)O)OCC(N1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94527 |