| SpectraBase Spectrum ID |
LfFjAR0vlLr |
| Name |
N-(3,4-Dimethoxybenzoyl)-3-(4-fluorophenyl)-beta-alanine, tms derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.156427634 u |
| Formula |
C21H26FNO5Si |
| InChI |
InChI=1S/C21H26FNO5Si/c1-26-18-11-8-15(12-19(18)27-2)21(25)23-17(13-20(24)28-29(3,4)5)14-6-9-16(22)10-7-14/h6-12,17H,13H2,1-5H3,(H,23,25) |
| InChIKey |
KYXBAFBAEPDECG-UHFFFAOYSA-N |
| Molecular Weight |
419.524 g/mol |
| SMILES |
C1(F)=CC=C(C=C1)C(NC(=O)C1=CC(=C(C=C1)OC)OC)CC(=O)O[Si](C)(C)C |
