| SpectraBase Spectrum ID |
3sBMeH9EjTO |
| Name |
1,2-Cyclohexanedicarboxylic acid, ethyl 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.230059506 u |
| Formula |
C18H32O4 |
| InChI |
InChI=1S/C18H32O4/c1-4-7-10-14(5-2)13-22-18(20)16-12-9-8-11-15(16)17(19)21-6-3/h14-16H,4-13H2,1-3H3 |
| InChIKey |
MVOBNFCSYAYUET-UHFFFAOYSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(C1CCCCC1C(OCC)=O)(=O)OCC(CC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95402 |
