| SpectraBase Spectrum ID |
8vAw7gxMJ60 |
| Name |
Malonic acid, isohexyl neopentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.183109313 u |
| Formula |
C14H26O4 |
| InChI |
InChI=1S/C14H26O4/c1-11(2)7-6-8-17-12(15)9-13(16)18-10-14(3,4)5/h11H,6-10H2,1-5H3 |
| InChIKey |
ALSPBDYRTUZFNB-UHFFFAOYSA-N |
| Molecular Weight |
258.358 g/mol |
| SMILES |
CC(C)CCCOC(CC(OCC(C)(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904794 |
