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N,N-Isopropyl-methyl-3,4-methylenedioxycathinone

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

N,N-Isopropyl-methyl-3,4-methylenedioxycathinone
SpectraBase Compound ID AJEoypkLnU5
InChI InChI=1S/C14H19NO3/c1-9(2)15(4)10(3)14(16)11-5-6-12-13(7-11)18-8-17-12/h5-7,9-10H,8H2,1-4H3
InChIKey JHGGWNLCNDWXFX-UHFFFAOYSA-N
Mol Weight 249.31 g/mol
Molecular Formula C14H19NO3
Exact Mass 249.136493 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2XbVjBPR2Fg
Name N,N-Isopropyl-methyl-3,4-methylenedioxycathinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.136493473 u
Formula C14H19NO3
InChI InChI=1S/C14H19NO3/c1-9(2)15(4)10(3)14(16)11-5-6-12-13(7-11)18-8-17-12/h5-7,9-10H,8H2,1-4H3
InChIKey JHGGWNLCNDWXFX-UHFFFAOYSA-N
Molecular Weight 249.310 g/mol
SMILES C=1(C(C(N(C(C)C)C)C)=O)C=C2C(=CC1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967487