| SpectraBase Spectrum ID |
E8tZGe2VTck |
| Name |
Succinic acid, 3-chlorophenethyl heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
494.316287689 u |
| Formula |
C29H47ClO4 |
| InChI |
InChI=1S/C29H47ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-33-28(31)20-21-29(32)34-24-22-26-18-17-19-27(30)25-26/h17-19,25H,2-16,20-24H2,1H3 |
| InChIKey |
IETRJBQHXXFVLB-UHFFFAOYSA-N |
| Molecular Weight |
495.144 g/mol |
| SMILES |
C(CCC(OCCC1=CC(=CC=C1)Cl)=O)(OCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81399 |
