| SpectraBase Spectrum ID |
LAdT8cHGWvm |
| Name |
1,2-Cyclohexanedicarboxylic acid, (2-chlorocyclohexyl)methyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.159787045 u |
| Formula |
C17H27ClO4 |
| InChI |
InChI=1S/C17H27ClO4/c1-2-21-16(19)13-8-4-5-9-14(13)17(20)22-11-12-7-3-6-10-15(12)18/h12-15H,2-11H2,1H3 |
| InChIKey |
SGYFWXNKKCRNJO-UHFFFAOYSA-N |
| Molecular Weight |
330.852 g/mol |
| SMILES |
C1CC(C(CC1)COC(C1CCCCC1C(OCC)=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842036 |
