| SpectraBase Spectrum ID |
Gc65urzk66b |
| Name |
Glutaric acid, 2-decyl dodecyl 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/c1-4-6-8-10-12-13-14-15-17-19-24-30-26(28)22-20-23-27(29)31-25(3)21-18-16-11-9-7-5-2/h25H,4-24H2,1-3H3 |
| InChIKey |
GHWJRMCLTAVWNT-UHFFFAOYSA-N |
| Molecular Weight |
440.709 g/mol |
| SMILES |
CC(OC(CCCC(OCCCCCCCCCCCC)=O)=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844686 |
