| SpectraBase Spectrum ID |
4vWXC0KrsxZ |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl decyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.222387303 u |
| Formula |
C20H35ClO4 |
| InChI |
InChI=1S/C20H35ClO4/c1-2-3-4-5-6-7-8-11-15-24-19(22)17-12-9-10-13-18(17)20(23)25-16-14-21/h17-18H,2-16H2,1H3 |
| InChIKey |
PUJAQOQDZOIRHH-UHFFFAOYSA-N |
| Molecular Weight |
374.949 g/mol |
| SMILES |
C1CC(C(CC1)C(=O)OCCCl)C(OCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94046 |
