| SpectraBase Spectrum ID |
j3rzf5JhAl |
| Name |
cis-10-Heptadecenoic 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 |
321.303164879 u |
| Formula |
C21H39NO |
| InChI |
InChI=1S/C21H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22-21(2,3)19-23-20/h9-10H,4-8,11-19H2,1-3H3/b10-9- |
| InChIKey |
HMKQVZSFQFGNGC-KTKRTIGZSA-N |
| Molecular Weight |
321.549 g/mol |
| SMILES |
C1(=NC(C)(C)CO1)CCCCCCCC\C=C/CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969199 |
