| SpectraBase Spectrum ID |
7UZdMCjnd0a |
| Name |
4'-Butyl-5-chloro-6'-cyano-2'-fluoro-3'-hydroxybiphenyl-2-yl ethyl carbonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.098663955 u |
| Formula |
C20H19ClFNO4 |
| InChI |
InChI=1S/C20H19ClFNO4/c1-3-5-6-12-9-13(11-23)17(18(22)19(12)24)15-8-7-14(21)10-16(15)27-20(25)26-4-2/h7-10,24H,3-6H2,1-2H3 |
| InChIKey |
BZWYMKMFEIDNAQ-UHFFFAOYSA-N |
| Molecular Weight |
391.826 g/mol |
| SMILES |
C1(=CC=C(C(OC(OCC)=O)=C1)C1=C(C=C(CCCC)C(=C1F)O)C#N)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880553 |
