| SpectraBase Spectrum ID |
Apf9f5f5E82 |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.175437110 u |
| Formula |
C17H29ClO4 |
| InChI |
InChI=1S/C17H29ClO4/c1-2-3-4-5-8-12-21-16(19)14-9-6-7-10-15(14)17(20)22-13-11-18/h14-15H,2-13H2,1H3 |
| InChIKey |
ZCFISICVYITKBS-UHFFFAOYSA-N |
| Molecular Weight |
332.868 g/mol |
| SMILES |
C1CC(C(CC1)C(=O)OCCCl)C(OCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804253 |
