| SpectraBase Spectrum ID |
9i9s2abJHkY |
| Name |
Succinic acid, 3,4-dimethylphenyl 6-chlorohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.144136981 u |
| Formula |
C18H25ClO4 |
| InChI |
InChI=1S/C18H25ClO4/c1-14-7-8-16(13-15(14)2)23-18(21)10-9-17(20)22-12-6-4-3-5-11-19/h7-8,13H,3-6,9-12H2,1-2H3 |
| InChIKey |
KXQXSHCDMNRACU-UHFFFAOYSA-N |
| Molecular Weight |
340.847 g/mol |
| SMILES |
C1=CC(=CC(=C1C)C)OC(=O)CCC(=O)OCCCCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833645 |
