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N,N'-bis(2-benzylsulfanylethyl)propanediamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

N,N'-bis(2-benzylsulfanylethyl)propanediamide
SpectraBase Compound ID 6ka8bkouhMh
InChI InChI=1S/C21H26N2O2S2/c24-20(22-11-13-26-16-18-7-3-1-4-8-18)15-21(25)23-12-14-27-17-19-9-5-2-6-10-19/h1-10H,11-17H2,(H,22,24)(H,23,25)
InChIKey YTFOYILNWVZCBZ-UHFFFAOYSA-N
Mol Weight 402.57 g/mol
Molecular Formula C21H26N2O2S2
Exact Mass 402.14357 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8dbHamV9z6
Name N,N'-bis(2-Benzylsulfanylethyl)propanediamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.143570431 u
Formula C21H26N2O2S2
InChI InChI=1S/C21H26N2O2S2/c24-20(22-11-13-26-16-18-7-3-1-4-8-18)15-21(25)23-12-14-27-17-19-9-5-2-6-10-19/h1-10H,11-17H2,(H,22,24)(H,23,25)
InChIKey YTFOYILNWVZCBZ-UHFFFAOYSA-N
Molecular Weight 402.571 g/mol
SMILES C(C(=O)NCCSCC=1C=CC=CC1)C(=O)NCCSCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952997