SpectraBase Spectrum ID |
BoiqBDIBalh |
Name |
Tetracosane, 12-decyl-12-nonyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
604.688602834 u |
Formula |
C43H88 |
InChI |
InChI=1S/C43H88/c1-5-9-13-17-21-24-26-30-34-38-42-43(39-35-31-27-20-16-12-8-4,40-36-32-28-23-19-15-11-7-3)41-37-33-29-25-22-18-14-10-6-2/h5-42H2,1-4H3 |
InChIKey |
WNKFQUQYJIMZNZ-UHFFFAOYSA-N |
Molecular Weight |
605.177 g/mol |
SMILES |
C(C(CCCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCC)CCCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929954 |