| SpectraBase Spectrum ID |
50vsd3w0H4W |
| Name |
Succinic acid, 3-methylbut-2-yl octadecyl 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/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30-26(28)21-22-27(29)31-25(4)24(2)3/h24-25H,5-23H2,1-4H3 |
| InChIKey |
KQWZUTSIAWZNDC-UHFFFAOYSA-N |
| Molecular Weight |
440.709 g/mol |
| SMILES |
C(OC(CCC(OC(C(C)C)C)=O)=O)CCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804533 |
