| SpectraBase Spectrum ID |
JxLTcWgC4Fa |
| Name |
Glutaric acid, 3-chlorophenyl 4-biphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.097186788 u |
| Formula |
C23H19ClO4 |
| InChI |
InChI=1S/C23H19ClO4/c24-19-8-4-9-21(16-19)28-23(26)11-5-10-22(25)27-20-14-12-18(13-15-20)17-6-2-1-3-7-17/h1-4,6-9,12-16H,5,10-11H2 |
| InChIKey |
DYLPJCHPKNZRCF-UHFFFAOYSA-N |
| Molecular Weight |
394.854 g/mol |
| SMILES |
C1=CC=C(C=C1)C1=CC=C(OC(=O)CCCC(OC2=CC(=CC=C2)Cl)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937472 |
