| SpectraBase Spectrum ID |
5nEJbHhhaGS |
| Name |
Butanedioic acid, 2,2-dimethyl-, bis(1-methylpropyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.183109313 u |
| Formula |
C14H26O4 |
| InChI |
InChI=1S/C14H26O4/c1-7-10(3)17-12(15)9-14(5,6)13(16)18-11(4)8-2/h10-11H,7-9H2,1-6H3 |
| InChIKey |
QEPPUWIQRJHLQK-UHFFFAOYSA-N |
| Molecular Weight |
258.358 g/mol |
| SMILES |
C(C(CC(OC(CC)C)=O)(C)C)(OC(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98621 |
