| SpectraBase Spectrum ID |
J1Nu6Ch20ht |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.238037367 u |
| Formula |
C21H37ClO4 |
| InChI |
InChI=1S/C21H37ClO4/c1-2-3-4-5-6-7-8-9-12-16-25-20(23)18-13-10-11-14-19(18)21(24)26-17-15-22/h18-19H,2-17H2,1H3 |
| InChIKey |
DXMZDAHEIVWOBD-UHFFFAOYSA-N |
| Molecular Weight |
388.976 g/mol |
| SMILES |
C1CC(C(CC1)C(=O)OCCCl)C(OCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935474 |
