| SpectraBase Spectrum ID |
4Gue6yiu4tO |
| Name |
Dimethylmalonic acid, 4-octyl tetradecyl 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/c1-6-9-11-12-13-14-15-16-17-18-19-20-23-30-25(28)27(4,5)26(29)31-24(21-8-3)22-10-7-2/h24H,6-23H2,1-5H3 |
| InChIKey |
NVSLTJNAQGVWAW-UHFFFAOYSA-N |
| Molecular Weight |
440.709 g/mol |
| SMILES |
CCCC(OC(=O)C(C)(C)C(OCCCCCCCCCCCCCC)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855116 |
