SpectraBase Spectrum ID |
GvnZ868iZqs |
Name |
Z-14-Nonacosene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
406.453851868 u |
Formula |
C29H58 |
InChI |
InChI=1S/C29H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29H,3-26,28H2,1-2H3/b29-27- |
InChIKey |
WPSGBOIGKHHPCJ-OHYPFYFLSA-N |
Molecular Weight |
406.783 g/mol |
SMILES |
C(CCCCCC)CCCCCC\C=C/CCCCCCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951343 |