| SpectraBase Spectrum ID |
DSE3rNcbLwL |
| Name |
Adipic acid, ethyl 4-methylpent-2-yl 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/c1-5-17-13(15)8-6-7-9-14(16)18-12(4)10-11(2)3/h11-12H,5-10H2,1-4H3 |
| InChIKey |
PEVVBDMNEZQQLN-UHFFFAOYSA-N |
| Molecular Weight |
258.358 g/mol |
| SMILES |
C(C(OC(C)CC(C)C)=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918388 |
