SpectraBase Spectrum ID |
C34FnQFosQK |
Name |
Benzamide, 2-fluoro-N-(3,4-dimethoxyphenethyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
303.127071604 u |
Formula |
C17H18FNO3 |
InChI |
InChI=1S/C17H18FNO3/c1-21-15-8-7-12(11-16(15)22-2)9-10-19-17(20)13-5-3-4-6-14(13)18/h3-8,11H,9-10H2,1-2H3,(H,19,20) |
InChIKey |
OTHIXCNUTWCGJJ-UHFFFAOYSA-N |
Molecular Weight |
303.333 g/mol |
SMILES |
C1=CC=CC(=C1C(=O)NCCC=1C=C(OC)C(OC)=CC1)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936088 |