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Benzylephedrine

View entire compound with spectra: 1 NMR, 1 FTIR, 1 MS (GC), and 10 MS (LC)

Benzylephedrine
SpectraBase Compound ID 3o3PBW7ofuN
InChI InChI=1S/C17H21NO/c1-14(18-2)17(16-11-7-4-8-12-16)19-13-15-9-5-3-6-10-15/h3-12,14,17-18H,13H2,1-2H3
InChIKey PSMVWPRPCJHGOW-UHFFFAOYSA-N
Mol Weight 255.36 g/mol
Molecular Formula C17H21NO
Exact Mass 255.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JZ5IqpMnCKZ
Name Benzylephedrine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.162314299 u
Formula C17H21NO
InChI InChI=1S/C17H21NO/c1-14(18-2)17(16-11-7-4-8-12-16)19-13-15-9-5-3-6-10-15/h3-12,14,17-18H,13H2,1-2H3
InChIKey PSMVWPRPCJHGOW-UHFFFAOYSA-N
Molecular Weight 255.361 g/mol
Nominal Mass 255 u
SMILES C1=CC(=CC=C1)C(C(C)NC)OCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.812184