| SpectraBase Spectrum ID |
AvNlfuoDqyK |
| Name |
Malonic acid, di(2,4-dimethylpent-3-yl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.230059506 u |
| Formula |
C17H32O4 |
| InChI |
InChI=1S/C17H32O4/c1-10(2)16(11(3)4)20-14(18)9-15(19)21-17(12(5)6)13(7)8/h10-13,16-17H,9H2,1-8H3 |
| InChIKey |
UCMHFRJIUYHQPK-UHFFFAOYSA-N |
| SMILES |
C(C(OC(C(C)C)C(C)C)=O)C(OC(C(C)C)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800186 |
