SpectraBase Spectrum ID |
Kegd9sRDvMs |
Name |
Benzeneethanamine, 2-fluoro-4,5-dibenzyloxy-.beta.-hydroxy-.alpha.-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
381.174021797 u |
Formula |
C23H24FNO3 |
InChI |
InChI=1S/C23H24FNO3/c1-16(25)23(26)19-12-21(27-14-17-8-4-2-5-9-17)22(13-20(19)24)28-15-18-10-6-3-7-11-18/h2-13,16,23,26H,14-15,25H2,1H3 |
InChIKey |
OINMPXYSVIEUSL-UHFFFAOYSA-N |
Molecular Weight |
381.447 g/mol |
SMILES |
C1(=C(C=C(C(=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)C(C(C)N)O)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871946 |