| SpectraBase Spectrum ID |
HQnJgF4EUi9 |
| Name |
Malonic acid, butyl 2-methylpent-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.167459249 u |
| Formula |
C13H24O4 |
| InChI |
InChI=1S/C13H24O4/c1-5-7-8-16-12(14)9-13(15)17-11(6-2)10(3)4/h10-11H,5-9H2,1-4H3 |
| InChIKey |
WXPGCPZSNBVHQN-UHFFFAOYSA-N |
| Molecular Weight |
244.331 g/mol |
| SMILES |
C(C(OC(CC)C(C)C)=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832484 |
