| SpectraBase Spectrum ID |
BA86KDdnewv |
| Name |
Octadecane, 9-ethyl-9-heptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.438201803 u |
| Formula |
C27H56 |
| InChI |
InChI=1S/C27H56/c1-5-9-12-15-17-20-23-26-27(8-4,24-21-18-14-11-7-3)25-22-19-16-13-10-6-2/h5-26H2,1-4H3 |
| InChIKey |
LRJHOBBNMAGOIG-UHFFFAOYSA-N |
| Molecular Weight |
380.745 g/mol |
| SMILES |
C(C(CCCCCCCC)(CCCCCCC)CC)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941636 |
