| SpectraBase Spectrum ID |
8Qgd9tM0XtK |
| Name |
Octadeca-8,10-dien-12-ynoic acid, dmox derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.271864750 u |
| Formula |
C22H35NO |
| InChI |
InChI=1S/C22H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22(2,3)20-24-21/h10-13H,4-7,14-20H2,1-3H3/b11-10+,13-12+ |
| InChIKey |
CNJBNIWDLSAIQK-AQASXUMVSA-N |
| Molecular Weight |
329.528 g/mol |
| SMILES |
C(CC=1OCC(N1)(C)C)CCCC\C=C\C=C\C#CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96926 |
