SpectraBase Spectrum ID |
9UJE34jF8Rg |
Name |
Phthalic acid, 2-cyclohexylethyl 2-ethylhexyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
388.261359635 u |
Formula |
C24H36O4 |
InChI |
InChI=1S/C24H36O4/c1-3-5-11-19(4-2)18-28-24(26)22-15-10-9-14-21(22)23(25)27-17-16-20-12-7-6-8-13-20/h9-10,14-15,19-20H,3-8,11-13,16-18H2,1-2H3 |
InChIKey |
XRMAOQFWJGRCOF-UHFFFAOYSA-N |
Molecular Weight |
388.548 g/mol |
SMILES |
C1=C(C(=CC=C1)C(=O)OCC(CC)CCCC)C(=O)OCCC1CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905392 |