SpectraBase Spectrum ID |
GKJsxdI1KjY |
Name |
2-Oxazoline, 4,4-dimethyl-2-(1-hydroxy-heptadeca-8,11-dienyl)- |
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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(24)21-23-22(2,3)19-25-21/h8-9,11-12,20,24H,4-7,10,13-19H2,1-3H3/b9-8+,12-11+ |
InChIKey |
JVNHKHQAFSLUAJ-MVKOLZDDSA-N |
Molecular Weight |
349.559 g/mol |
SMILES |
C=1(C(CCCCCC\C=C\C\C=C\CCCCC)O)OCC(N1)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93369 |