| SpectraBase Spectrum ID |
9GKQPqUPbXC |
| Name |
Tricosanoic acid, 3,5-dimethyl-, methyl ester, (R*,R*)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.396730912 u |
| Formula |
C26H52O2 |
| InChI |
InChI=1S/C26H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(2)22-25(3)23-26(27)28-4/h24-25H,5-23H2,1-4H3 |
| InChIKey |
VIOQVRRKMCZPPI-UHFFFAOYSA-N |
| Molecular Weight |
396.700 g/mol |
| SMILES |
C(C(CCCCCCCCCCCCCCCCCC)C)C(CC(OC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92219 |
