| SpectraBase Spectrum ID |
7og8FyoRKpd |
| Name |
Dodecanoic acid 3-dodecanoyloxy-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.386560150 u |
| Formula |
C27H52O4 |
| InChI |
InChI=1S/C27H52O4/c1-3-5-7-9-11-13-15-17-19-22-26(28)30-24-21-25-31-27(29)23-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3 |
| InChIKey |
RREUCPUHQJKHDY-UHFFFAOYSA-N |
| Molecular Weight |
440.709 g/mol |
| SMILES |
C(OCCCOC(CCCCCCCCCCC)=O)(CCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921895 |
