SpectraBase Spectrum ID |
LaC0QnMl6gf |
Name |
(Z)-2-(Octadec-10-en-1-yl)-4,5-dihydrooxazole |
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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23-21/h8-9H,2-7,10-20H2,1H3/b9-8- |
InChIKey |
NQIYJBICRCQKNA-HJWRWDBZSA-N |
Molecular Weight |
321.549 g/mol |
SMILES |
C=1(OCCN1)CCCCCCCCC\C=C/CCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95742 |