| SpectraBase Spectrum ID |
5Fpv6T4VF3w |
| Name |
1,2-Cyclohexanedicarboxylic acid, butyl hexyl 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/c1-3-5-7-10-14-22-18(20)16-12-9-8-11-15(16)17(19)21-13-6-4-2/h15-16H,3-14H2,1-2H3 |
| InChIKey |
JZDKKCSTIGLISW-UHFFFAOYSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
CCCCOC(C1C(C(=O)OCCCCCC)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860038 |
