| SpectraBase Spectrum ID |
EJqepb7kzN0 |
| Name |
Butanedioic acid, bis(1-methylpropyl) 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/c1-5-9(3)15-11(13)7-8-12(14)16-10(4)6-2/h9-10H,5-8H2,1-4H3 |
| InChIKey |
PJZURRKQOJYGAU-UHFFFAOYSA-N |
| Molecular Weight |
230.304 g/mol |
| SMILES |
C(OC(CC)C)(CCC(OC(CC)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980392 |
