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6-(3,4,5-Trimethoxyphenyl)-1,5-diazabicyclo[3.1.0]hexane

View entire compound with spectra: 1 FTIR

6-(3,4,5-Trimethoxyphenyl)-1,5-diazabicyclo[3.1.0]hexane
SpectraBase Compound ID AO8kE4xlrFM
InChI InChI=1S/C13H18N2O3/c1-16-10-7-9(8-11(17-2)12(10)18-3)13-14-5-4-6-15(13)14/h7-8,13H,4-6H2,1-3H3
InChIKey RNPROPAFCLKYAO-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C13H18N2O3
Exact Mass 250.131742 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5Njgf11koH3
Name 6-(3,4,5-Trimethoxyphenyl)-1,5-diazabicyclo[3.1.0]hexane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.131742445 u
Formula C13H18N2O3
InChI InChI=1S/C13H18N2O3/c1-16-10-7-9(8-11(17-2)12(10)18-3)13-14-5-4-6-15(13)14/h7-8,13H,4-6H2,1-3H3
InChIKey RNPROPAFCLKYAO-UHFFFAOYSA-N
Molecular Weight 250.298 g/mol
SMILES COC1=CC(C2N3CCCN23)=CC(=C1OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940699