| SpectraBase Spectrum ID |
2CQqqWwRt8E |
| Name |
Malonic acid, 2-methylpent-3-yl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.151809184 u |
| Formula |
C12H22O4 |
| InChI |
InChI=1S/C12H22O4/c1-5-7-15-11(13)8-12(14)16-10(6-2)9(3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey |
VJLVHFOAYMMTTH-UHFFFAOYSA-N |
| Molecular Weight |
230.304 g/mol |
| SMILES |
C(C(OC(CC)C(C)C)=O)C(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952509 |
