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4-Fluorophenethylamine 2-methylbenzyl

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

4-Fluorophenethylamine 2-methylbenzyl
SpectraBase Compound ID IIajkE2CVyh
InChI InChI=1S/C16H18FN/c1-13-4-2-3-5-15(13)12-18-11-10-14-6-8-16(17)9-7-14/h2-9,18H,10-12H2,1H3
InChIKey VAQBVCZRTZYAKM-UHFFFAOYSA-N
Mol Weight 243.33 g/mol
Molecular Formula C16H18FN
Exact Mass 243.142328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ew6UVyRASn4
Name 4-Fluorophenethylamine 2-methylbenzyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.142327747 u
Formula C16H18FN
InChI InChI=1S/C16H18FN/c1-13-4-2-3-5-15(13)12-18-11-10-14-6-8-16(17)9-7-14/h2-9,18H,10-12H2,1H3
InChIKey VAQBVCZRTZYAKM-UHFFFAOYSA-N
Molecular Weight 243.325 g/mol
SMILES C1(=C(C=CC=C1)C)CNCCC1=CC=C(C=C1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884846