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N-(1,3-Benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)ethanamine

View entire compound with spectra: 1 NMR, and 1 FTIR

N-(1,3-Benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)ethanamine
SpectraBase Compound ID AVXi0lYfbdz
InChI InChI=1S/C16H16FNO2/c17-14-4-1-12(2-5-14)7-8-18-10-13-3-6-15-16(9-13)20-11-19-15/h1-6,9,18H,7-8,10-11H2
InChIKey GIHYLDHKZINEEO-UHFFFAOYSA-N
Mol Weight 273.31 g/mol
Molecular Formula C16H16FNO2
Exact Mass 273.116507 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FyxKCEQlJIP
Name N-(1,3-Benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)ethanamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 273.116506920 u
Formula C16H16FNO2
InChI InChI=1S/C16H16FNO2/c17-14-4-1-12(2-5-14)7-8-18-10-13-3-6-15-16(9-13)20-11-19-15/h1-6,9,18H,7-8,10-11H2
InChIKey GIHYLDHKZINEEO-UHFFFAOYSA-N
Molecular Weight 273.307 g/mol
SMILES C1(F)=CC=C(C=C1)CCNCC1=CC2=C(C=C1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951863