| SpectraBase Spectrum ID |
GGD5mq2vCtw |
| Name |
Octadecane, 2,2,4,15,17,17-hexamethyl-7,12-bis(3,5,5-trimethylhexyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
590.672952769 u |
| Formula |
C42H86 |
| InChI |
InChI=1S/C42H86/c1-33(29-39(5,6)7)21-25-37(26-22-34(2)30-40(8,9)10)19-17-18-20-38(27-23-35(3)31-41(11,12)13)28-24-36(4)32-42(14,15)16/h33-38H,17-32H2,1-16H3 |
| InChIKey |
ODRMXCPHVVYLHY-UHFFFAOYSA-N |
| Molecular Weight |
591.150 g/mol |
| SMILES |
C(CCC(CC(C)(C)C)C)(CCC(CC(C)(C)C)C)CCCCC(CCC(CC(C)(C)C)C)CCC(CC(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838621 |
