| SpectraBase Spectrum ID |
ApaDsu2oSnm |
| Name |
Malonic acid, 2-decyl 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/c1-4-6-8-10-12-13-14-15-16-17-19-21-23-30-26(28)24-27(29)31-25(3)22-20-18-11-9-7-5-2/h25H,4-24H2,1-3H3 |
| InChIKey |
CQIFEOMUYGLTLT-UHFFFAOYSA-N |
| Molecular Weight |
440.709 g/mol |
| SMILES |
C(C(OC(CCCCCCCC)C)=O)C(OCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905027 |
