| SpectraBase Spectrum ID |
401nuezGTNi |
| Name |
Succinic acid, 2-methylhex-3-yl 2-propylpentyl 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/c1-6-9-16(10-7-2)14-22-18(20)12-13-19(21)23-17(11-8-3)15(4)5/h15-17H,6-14H2,1-5H3 |
| InChIKey |
HWQJIAGAXMUUGD-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
C(CCC(OCC(CCC)CCC)=O)(OC(CCC)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985209 |
