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3-[1-Aziridyl]butyraldehyde azine
SpectraBase Compound ID 69tqHGG3lSK
InChI InChI=1S/C12H22N4/c1-11(15-7-8-15)3-5-13-14-6-4-12(2)16-9-10-16/h5-6,11-12H,3-4,7-10H2,1-2H3/b13-5+,14-6+
InChIKey UHTHORJQAHGMFL-ACFHMISVSA-N
Mol Weight 222.34 g/mol
Molecular Formula C12H22N4
Exact Mass 222.184447 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 46Bed6vxoIx
Name 3-[1-Aziridyl]butyraldehyde azine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.184446724 u
Formula C12H22N4
InChI InChI=1S/C12H22N4/c1-11(15-7-8-15)3-5-13-14-6-4-12(2)16-9-10-16/h5-6,11-12H,3-4,7-10H2,1-2H3/b13-5+,14-6+
InChIKey UHTHORJQAHGMFL-ACFHMISVSA-N
Molecular Weight 222.336 g/mol
SMILES C1N(C(C\C=N\N=C\CC(N2CC2)C)C)C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.815666