| SpectraBase Spectrum ID |
FlaZRMaTFXy |
| Name |
Phthalic acid, 2-(4-chlorophenyl)ethyl heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.159787045 u |
| Formula |
C23H27ClO4 |
| InChI |
InChI=1S/C23H27ClO4/c1-2-3-4-5-8-16-27-22(25)20-9-6-7-10-21(20)23(26)28-17-15-18-11-13-19(24)14-12-18/h6-7,9-14H,2-5,8,15-17H2,1H3 |
| InChIKey |
NWRLPWNVGHMKMM-UHFFFAOYSA-N |
| Molecular Weight |
402.918 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OCCC1=CC=C(C=C1)Cl)=O)(OCCCCCCC)=O |
