| SpectraBase Spectrum ID |
K5LEcyi1n6O |
| Name |
Benzamide, 3-trifluoromethyl-N-(3,4-dimethoxyphenethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.123877930 u |
| Formula |
C18H18F3NO3 |
| InChI |
InChI=1S/C18H18F3NO3/c1-24-15-7-6-12(10-16(15)25-2)8-9-22-17(23)13-4-3-5-14(11-13)18(19,20)21/h3-7,10-11H,8-9H2,1-2H3,(H,22,23) |
| InChIKey |
KRQBBSMRLULVMU-UHFFFAOYSA-N |
| Molecular Weight |
353.341 g/mol |
| SMILES |
C1=CC=C(C=C1C(=O)NCCC=1C=C(OC)C(OC)=CC1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900687 |
