| SpectraBase Spectrum ID |
FpIiYhTR2y2 |
| Name |
cis-13,16-Docasadienoic acid, 4,4-dimethyloxazoline (dmox) derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.365765136 u |
| Formula |
C26H47NO |
| InChI |
InChI=1S/C26H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-26(2,3)24-28-25/h8-9,11-12H,4-7,10,13-24H2,1-3H3/b9-8-,12-11- |
| InChIKey |
YGUQQCLTZSTBIH-MURFETPASA-N |
| Molecular Weight |
389.668 g/mol |
| SMILES |
C(CCCCCCCCCC1=NC(C)(C)CO1)C\C=C/C\C=C/CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940889 |
