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N-(2-Fluorobenzyl)methylone

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

N-(2-Fluorobenzyl)methylone
SpectraBase Compound ID 7nIjsg0JOCJ
InChI InChI=1S/C18H18FNO3/c1-12(20(2)10-14-5-3-4-6-15(14)19)18(21)13-7-8-16-17(9-13)23-11-22-16/h3-9,12H,10-11H2,1-2H3
InChIKey AVZKNDHKVSFBGO-UHFFFAOYSA-N
Mol Weight 315.34 g/mol
Molecular Formula C18H18FNO3
Exact Mass 315.127072 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3AbSrBlXgID
Name N-(2-Fluorobenzyl)methylone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.127071604 u
Formula C18H18FNO3
InChI InChI=1S/C18H18FNO3/c1-12(20(2)10-14-5-3-4-6-15(14)19)18(21)13-7-8-16-17(9-13)23-11-22-16/h3-9,12H,10-11H2,1-2H3
InChIKey AVZKNDHKVSFBGO-UHFFFAOYSA-N
Molecular Weight 315.344 g/mol
SMILES C=1(C(C(N(CC=2C(=CC=CC2)F)C)C)=O)C=C2C(=CC1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.84334