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1-[N,N'-bis(2,6-Diethylphenyl)amidino]aziridine
SpectraBase Compound ID 8xZf2lclgho
InChI InChI=1S/C23H31N3/c1-5-17-11-9-12-18(6-2)21(17)24-23(26-15-16-26)25-22-19(7-3)13-10-14-20(22)8-4/h9-14H,5-8,15-16H2,1-4H3,(H,24,25)
InChIKey KXRWTOJBJCJLJG-UHFFFAOYSA-N
Mol Weight 349.52 g/mol
Molecular Formula C23H31N3
Exact Mass 349.251798 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8pcLgMV3KKM
Name 1-[N,N'-bis(2,6-Diethylphenyl)amidino]aziridine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.251798010 u
Formula C23H31N3
InChI InChI=1S/C23H31N3/c1-5-17-11-9-12-18(6-2)21(17)24-23(26-15-16-26)25-22-19(7-3)13-10-14-20(22)8-4/h9-14H,5-8,15-16H2,1-4H3,(H,24,25)
InChIKey KXRWTOJBJCJLJG-UHFFFAOYSA-N
Molecular Weight 349.522 g/mol
SMILES CCC1=C(C(CC)=CC=C1)N\C(N1CC1)=N\C1=C(CC)C=CC=C1CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842191