| SpectraBase Spectrum ID |
2s0bWAHfT3K |
| Name |
Trans-13-octadecenoic 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 |
335.318814943 u |
| Formula |
C22H41NO |
| InChI |
InChI=1S/C22H41NO/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/h7-8H,4-6,9-20H2,1-3H3/b8-7+ |
| InChIKey |
LAPZQVVNBSJZOY-BQYQJAHWSA-N |
| Molecular Weight |
335.576 g/mol |
| SMILES |
C1(=NC(C)(C)CO1)CCCCCCCCCCC\C=C\CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953992 |
