SpectraBase Spectrum ID |
hcf0mZh2Bh |
Name |
2,10-Dimethyloctacosanoic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
452.459331170 u |
Formula |
C30H60O2 |
InChI |
InChI=1S/C30H60O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-28(2)26-23-20-18-21-24-27-29(3)30(31)32/h28-29H,4-27H2,1-3H3,(H,31,32) |
InChIKey |
AYMLNRRLOWTSPF-UHFFFAOYSA-N |
Molecular Weight |
452.808 g/mol |
SMILES |
C(=O)(C(CCCCCCCC(CCCCCCCCCCCCCCCCCC)C)C)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910627 |