| SpectraBase Spectrum ID |
IDlKljWhYyN |
| Name |
4-Chlorobutyric acid, 2-biphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.076057421 u |
| Formula |
C16H15ClO2 |
| InChI |
InChI=1S/C16H15ClO2/c17-12-6-11-16(18)19-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2 |
| InChIKey |
LBYNLGXLCDTASA-UHFFFAOYSA-N |
| Molecular Weight |
274.747 g/mol |
| SMILES |
C(Cl)CCC(=O)OC1=C(C2=CC=CC=C2)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868976 |
