| SpectraBase Spectrum ID |
EC58NqnjP0Z |
| Name |
1,2-Cyclohexanedicarboxylic acid, di(3-methylbut-2-yl) 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/c1-11(2)13(5)21-17(19)15-9-7-8-10-16(15)18(20)22-14(6)12(3)4/h11-16H,7-10H2,1-6H3 |
| InChIKey |
RMIWZZXXPRWNSX-UHFFFAOYSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C1CCCC(C1C(OC(C(C)C)C)=O)C(=O)OC(C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919502 |
