| SpectraBase Spectrum ID |
89WwZz8tBZL |
| Name |
1,2-Cyclohexanedicarboxylic acid, ethyl methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.120509056 u |
| Formula |
C11H18O4 |
| InChI |
InChI=1S/C11H18O4/c1-3-15-11(13)9-7-5-4-6-8(9)10(12)14-2/h8-9H,3-7H2,1-2H3 |
| InChIKey |
KTQLZENVPSGMMQ-UHFFFAOYSA-N |
| Molecular Weight |
214.261 g/mol |
| SMILES |
C(C1CCCCC1C(OCC)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958865 |
