| SpectraBase Spectrum ID |
8xUnHhJ1uZ3 |
| Name |
Succinic acid, (5-ethyl-1,3-dioxan-5-yl)methyl 2-methylhex-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.219888744 u |
| Formula |
C18H32O6 |
| InChI |
InChI=1S/C18H32O6/c1-5-7-15(14(3)4)24-17(20)9-8-16(19)23-12-18(6-2)10-21-13-22-11-18/h14-15H,5-13H2,1-4H3 |
| InChIKey |
JEUATORRIVATDY-UHFFFAOYSA-N |
| Molecular Weight |
344.448 g/mol |
| SMILES |
C(CCC(OC(CCC)C(C)C)=O)(=O)OCC1(CC)COCOC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887789 |
