| SpectraBase Spectrum ID |
EneYdSXB90E |
| Name |
Succinic acid, di(2,4,4-trimethylpentyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-15(11-19(3,4)5)13-23-17(21)9-10-18(22)24-14-16(2)12-20(6,7)8/h15-16H,9-14H2,1-8H3 |
| InChIKey |
UPELHNUPBADRJV-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(CCC(OCC(CC(C)(C)C)C)=O)(OCC(CC(C)(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98453 |
