SpectraBase Spectrum ID |
JIJnTcHnxtz |
Name |
Benzamide, 3-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/c1-21-15-7-6-12(10-16(15)22-2)8-9-19-17(20)13-4-3-5-14(18)11-13/h3-7,10-11H,8-9H2,1-2H3,(H,19,20) |
InChIKey |
XFZPFXBCEIIELC-UHFFFAOYSA-N |
Molecular Weight |
303.333 g/mol |
SMILES |
C(C1=CC(=CC=C1)F)(=O)NCCC=1C=C(OC)C(OC)=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950622 |