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N-Benzylmethcathinone

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

N-Benzylmethcathinone
SpectraBase Compound ID JCdF7t673Tw
InChI InChI=1S/C17H19NO/c1-14(17(19)16-11-7-4-8-12-16)18(2)13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3
InChIKey UFQQYJQQRYVVAN-UHFFFAOYSA-N
Mol Weight 253.34 g/mol
Molecular Formula C17H19NO
Exact Mass 253.146664 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7zzZqed64OF
Name N-Benzylmethcathinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.146664235 u
Formula C17H19NO
InChI InChI=1S/C17H19NO/c1-14(17(19)16-11-7-4-8-12-16)18(2)13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3
InChIKey UFQQYJQQRYVVAN-UHFFFAOYSA-N
Molecular Weight 253.345 g/mol
SMILES C(C=1C=CC=CC1)(C(N(CC=1C=CC=CC1)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90694