| SpectraBase Spectrum ID |
Itgdygz4zez |
| Name |
Malonic acid, 3,3-dimethylbut-2-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/c1-6-7-15-10(13)8-11(14)16-9(2)12(3,4)5/h9H,6-8H2,1-5H3 |
| InChIKey |
AEURCQIDVNSBSL-UHFFFAOYSA-N |
| Molecular Weight |
230.304 g/mol |
| SMILES |
C(CC(OC(C(C)(C)C)C)=O)(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978748 |
