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N,N-2-Hexyl-methyl-3,4-methylenedioxycathinone

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

N,N-2-Hexyl-methyl-3,4-methylenedioxycathinone
SpectraBase Compound ID 6mpmgmPnNmt
InChI InChI=1S/C17H25NO3/c1-5-6-7-12(2)18(4)13(3)17(19)14-8-9-15-16(10-14)21-11-20-15/h8-10,12-13H,5-7,11H2,1-4H3
InChIKey UUNIAUZRFKOADG-UHFFFAOYSA-N
Mol Weight 291.39 g/mol
Molecular Formula C17H25NO3
Exact Mass 291.183444 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EUoor93tpS5
Name N,N-2-Hexyl-methyl-3,4-methylenedioxycathinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.183443666 u
Formula C17H25NO3
InChI InChI=1S/C17H25NO3/c1-5-6-7-12(2)18(4)13(3)17(19)14-8-9-15-16(10-14)21-11-20-15/h8-10,12-13H,5-7,11H2,1-4H3
InChIKey UUNIAUZRFKOADG-UHFFFAOYSA-N
SMILES C=1(C(C(N(C(CCCC)C)C)C)=O)C=C2C(=CC1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912082