SpectraBase Spectrum ID |
JkrP0bPbmUN |
Name |
Carbonic acid, decyl tetradecyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
398.375995467 u |
Formula |
C25H50O3 |
InChI |
InChI=1S/C25H50O3/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-28-25(26)27-23-21-19-17-12-10-8-6-4-2/h3-24H2,1-2H3 |
InChIKey |
FAUMYZWTQVCOGN-UHFFFAOYSA-N |
Molecular Weight |
398.672 g/mol |
SMILES |
C(CCCCCCCCOC(OCCCCCCCCCC)=O)CCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90484 |