| SpectraBase Spectrum ID |
OWOW5DH6ZF |
| Name |
Succinic acid, heptadecyl 3-methylbut-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.370910086 u |
| Formula |
C26H50O4 |
| InChI |
InChI=1S/C26H50O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-25(27)20-21-26(28)30-24(4)23(2)3/h23-24H,5-22H2,1-4H3 |
| InChIKey |
BWJHQVQFVVEFCU-UHFFFAOYSA-N |
| Molecular Weight |
426.682 g/mol |
| SMILES |
C(CCCCCCCCCCCCCCCOC(CCC(OC(C(C)C)C)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838708 |
