| SpectraBase Spectrum ID |
L8n32CBP9qd |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.284987561 u |
| Formula |
C24H43ClO4 |
| InChI |
InChI=1S/C24H43ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-28-23(26)21-16-13-14-17-22(21)24(27)29-20-18-25/h21-22H,2-20H2,1H3 |
| InChIKey |
IORCAXGUDIKWPG-UHFFFAOYSA-N |
| Molecular Weight |
431.057 g/mol |
| SMILES |
C1CC(C(CC1)C(=O)OCCCl)C(OCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916522 |
