| SpectraBase Spectrum ID |
Enr82ST4nQ8 |
| Name |
3-Isobutyl-3-methyl-glutaric acid dimethyl 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/c1-9(2)6-12(3,7-10(13)15-4)8-11(14)16-5/h9H,6-8H2,1-5H3 |
| InChIKey |
GMDRTCDTAZMQBC-UHFFFAOYSA-N |
| Molecular Weight |
230.304 g/mol |
| SMILES |
C(=O)(CC(CC(OC)=O)(CC(C)C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972318 |
