| SpectraBase Spectrum ID |
9YzQjoXOj3d |
| Name |
Succinic acid, 2-heptyl 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.261359635 u |
| Formula |
C19H36O4 |
| InChI |
InChI=1S/C19H36O4/c1-5-8-10-11-16(4)23-19(21)14-13-18(20)22-15-17(7-3)12-9-6-2/h16-17H,5-15H2,1-4H3 |
| InChIKey |
YIYLOXFFOUIQHU-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
CCC(COC(CCC(=O)OC(C)CCCCC)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987028 |
