SpectraBase Spectrum ID |
C2kerDmcnuh |
Name |
aaa-4,6,8,10,16-Pentamethyldocosane |
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/c1-8-10-11-13-17-23(3)18-14-12-15-19-25(5)21-27(7)22-26(6)20-24(4)16-9-2/h23-27H,8-22H2,1-7H3/t23?,24-,25-,26+,27+/m1/s1 |
InChIKey |
VVDSINUIUNMYHT-JIZIMYHVSA-N |
Molecular Weight |
380.745 g/mol |
SMILES |
C([C@](C[C@@](CCC)(C)[H])(C)[H])[C@](C[C@@](CCCCCC(CCCCCC)C)(C)[H])(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924837 |