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1-(1,3-Benzodioxol-5-yl)-N,N-bis(1,3-benzodioxol-5-ylmethyl)methanamine

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

1-(1,3-Benzodioxol-5-yl)-N,N-bis(1,3-benzodioxol-5-ylmethyl)methanamine
SpectraBase Compound ID 33oC24T3f3o
InChI InChI=1S/C24H21NO6/c1-4-19-22(29-13-26-19)7-16(1)10-25(11-17-2-5-20-23(8-17)30-14-27-20)12-18-3-6-21-24(9-18)31-15-28-21/h1-9H,10-15H2
InChIKey LFQIEXAFVKRMPK-UHFFFAOYSA-N
Mol Weight 419.43 g/mol
Molecular Formula C24H21NO6
Exact Mass 419.136887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JgH62G8SRcG
Name 1-(1,3-Benzodioxol-5-yl)-N,N-bis(1,3-benzodioxol-5-ylmethyl)methanamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.136887394 u
Formula C24H21NO6
InChI InChI=1S/C24H21NO6/c1-4-19-22(29-13-26-19)7-16(1)10-25(11-17-2-5-20-23(8-17)30-14-27-20)12-18-3-6-21-24(9-18)31-15-28-21/h1-9H,10-15H2
InChIKey LFQIEXAFVKRMPK-UHFFFAOYSA-N
Molecular Weight 419.433 g/mol
SMILES C1=2C(=CC(CN(CC=3C=C4C(=CC3)OCO4)CC3=CC4=C(C=C3)OCO4)=CC2)OCO1