| SpectraBase Spectrum ID |
aTKt4UDFKI |
| Name |
Succinic acid, hexyl 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 |
314.245709571 u |
| Formula |
C18H34O4 |
| InChI |
InChI=1S/C18H34O4/c1-6-7-8-9-12-21-16(19)10-11-17(20)22-14-15(2)13-18(3,4)5/h15H,6-14H2,1-5H3 |
| InChIKey |
VXSLELBROXXVIB-UHFFFAOYSA-N |
| SMILES |
C(CCC(OCC(CC(C)(C)C)C)=O)(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940404 |
