| SpectraBase Spectrum ID |
90Lu5IKJe3G |
| Name |
Succinic acid, heptyl 2,4,4-trimethylpentyl 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/c1-6-7-8-9-10-13-22-17(20)11-12-18(21)23-15-16(2)14-19(3,4)5/h16H,6-15H2,1-5H3 |
| InChIKey |
DVDAHQPQYOSPKR-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
C(CCC(OCC(CC(C)(C)C)C)=O)(OCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917361 |
