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N-Butyl-3-methylmethcathinone

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

N-Butyl-3-methylmethcathinone
SpectraBase Compound ID KwzMJHRcyAk
InChI InChI=1S/C15H23NO/c1-5-6-10-16(4)13(3)15(17)14-9-7-8-12(2)11-14/h7-9,11,13H,5-6,10H2,1-4H3
InChIKey CDRMMIHKIOLSNV-UHFFFAOYSA-N
Mol Weight 233.35 g/mol
Molecular Formula C15H23NO
Exact Mass 233.177964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9q4lvNJsZzS
Name N-Butyl-3-methylmethcathinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.177964364 u
Formula C15H23NO
InChI InChI=1S/C15H23NO/c1-5-6-10-16(4)13(3)15(17)14-9-7-8-12(2)11-14/h7-9,11,13H,5-6,10H2,1-4H3
InChIKey CDRMMIHKIOLSNV-UHFFFAOYSA-N
Molecular Weight 233.355 g/mol
SMILES C=1(C(C(N(CCCC)C)C)=O)C=C(C=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848727