SpectraBase Spectrum ID |
7M3GPmuvtvP |
Name |
[(2'-Chlorophenyl)(4''-chlorophenyl)(2-fluoro-5-phenyl)]-methanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
389.074947766 u |
Formula |
C21H18Cl2FNO |
InChI |
InChI=1S/C21H18Cl2FNO/c1-25(2)16-11-12-20(24)18(13-16)21(26,14-7-9-15(22)10-8-14)17-5-3-4-6-19(17)23/h3-13,26H,1-2H3 |
InChIKey |
CEVKUZWSXLSUNK-UHFFFAOYSA-N |
Molecular Weight |
390.285 g/mol |
SMILES |
C=1(C(C2=C(Cl)C=CC=C2)(C2=CC=C(C=C2)Cl)O)C=C(N(C)C)C=CC1F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86073 |