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(S,S)-N,N'-Bis(alanyl)-1,3-diaminopropane

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

(S,S)-N,N'-Bis(alanyl)-1,3-diaminopropane
SpectraBase Compound ID ClS0XyZG6TL
InChI InChI=1S/C9H20N4O2/c1-6(10)8(14)12-4-3-5-13-9(15)7(2)11/h6-7H,3-5,10-11H2,1-2H3,(H,12,14)(H,13,15)/t6-,7-/m0/s1
InChIKey WJGZGFKXFJXPBA-BQBZGAKWSA-N
Mol Weight 216.28 g/mol
Molecular Formula C9H20N4O2
Exact Mass 216.158626 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EcNvHNxO3JD
Name (S,S)-N,N'-bis(Alanyl)-1,3-diaminopropane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.158625898 u
Formula C9H20N4O2
InChI InChI=1S/C9H20N4O2/c1-6(10)8(14)12-4-3-5-13-9(15)7(2)11/h6-7H,3-5,10-11H2,1-2H3,(H,12,14)(H,13,15)/t6-,7-/m0/s1
InChIKey WJGZGFKXFJXPBA-BQBZGAKWSA-N
Molecular Weight 216.285 g/mol
SMILES C(=O)(NCCCNC(=O)[C@@](N)(C)[H])[C@@](N)(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957455