| SpectraBase Spectrum ID |
5i5KSVrIf7D |
| Name |
Benzenethanamine, 4,5-dibenzyloxy-2-fluoro-2'-hydroxy-N-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/c1-25-14-21(26)19-12-22(27-15-17-8-4-2-5-9-17)23(13-20(19)24)28-16-18-10-6-3-7-11-18/h2-13,21,25-26H,14-16H2,1H3 |
| InChIKey |
QDZZRQSBQUVQJI-UHFFFAOYSA-N |
| Molecular Weight |
381.447 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)C(O)CNC)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873891 |
