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4-Fluorophenethylamine I-but

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

4-Fluorophenethylamine I-but
SpectraBase Compound ID LXsANnNwFU2
InChI InChI=1S/C12H16FNO/c1-9(2)12(15)14-8-7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKey LZLRFFNQUQSYAZ-UHFFFAOYSA-N
Mol Weight 209.26 g/mol
Molecular Formula C12H16FNO
Exact Mass 209.121592 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1eOLPVxHVHp
Name 4-Fluorophenethylamine I-but
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 209.121592301 u
Formula C12H16FNO
InChI InChI=1S/C12H16FNO/c1-9(2)12(15)14-8-7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKey LZLRFFNQUQSYAZ-UHFFFAOYSA-N
Molecular Weight 209.264 g/mol
SMILES C=1(CCNC(C(C)C)=O)C=CC(=CC1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923981