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N-(2-Fluorobenzyl)mda

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N-(2-Fluorobenzyl)mda
SpectraBase Compound ID IrgNPDSuOpl
InChI InChI=1S/C17H18FNO2/c1-12(19-10-14-4-2-3-5-15(14)18)8-13-6-7-16-17(9-13)21-11-20-16/h2-7,9,12,19H,8,10-11H2,1H3
InChIKey WBXFSZQVJWAUBD-UHFFFAOYSA-N
Mol Weight 287.33 g/mol
Molecular Formula C17H18FNO2
Exact Mass 287.132157 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D7GwTzLfcNr
Name N-(2-Fluorobenzyl)mda
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.132156985 u
Formula C17H18FNO2
InChI InChI=1S/C17H18FNO2/c1-12(19-10-14-4-2-3-5-15(14)18)8-13-6-7-16-17(9-13)21-11-20-16/h2-7,9,12,19H,8,10-11H2,1H3
InChIKey WBXFSZQVJWAUBD-UHFFFAOYSA-N
Molecular Weight 287.334 g/mol
SMILES C=12C(=CC(CC(NCC=3C(=CC=CC3)F)C)=CC1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934447