| SpectraBase Spectrum ID |
5CeK0XnpdIU |
| Name |
aaa(S)-4,6,8,10,16,18-Hexamethyldocosane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.453851868 u |
| Formula |
C28H58 |
| InChI |
InChI=1S/C28H58/c1-9-11-16-24(4)19-25(5)17-13-12-14-18-26(6)21-28(8)22-27(7)20-23(3)15-10-2/h23-28H,9-22H2,1-8H3/t23-,24+,25-,26-,27+,28+/m1/s1 |
| InChIKey |
STQCZSKIOVDDDU-HCKQMYSWSA-N |
| Molecular Weight |
394.772 g/mol |
| SMILES |
C([C@](C[C@@](CCC)(C)[H])(C)[H])[C@](C[C@@](CCCCC[C@](C[C@](CCCC)(C)[H])(C)[H])(C)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886211 |
