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N,N-Di-(S)-.alpha.-methylbenzyl-3,3-dithiodipropionamide

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

N,N-Di-(S)-.alpha.-methylbenzyl-3,3-dithiodipropionamide
SpectraBase Compound ID BZFn221GIJO
InChI InChI=1S/C22H28N2O2S2/c1-17(19-9-5-3-6-10-19)23-21(25)13-15-27-28-16-14-22(26)24-18(2)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H,23,25)(H,24,26)/t17-,18-/m0/s1
InChIKey BWFVSYHFBDPFBZ-ROUUACIJSA-N
Mol Weight 416.6 g/mol
Molecular Formula C22H28N2O2S2
Exact Mass 416.15922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JhLiBfxmB7X
Name N,N-di-(S)-.alpha.-Methylbenzyl-3,3-dithiodipropionamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.159220496 u
Formula C22H28N2O2S2
InChI InChI=1S/C22H28N2O2S2/c1-17(19-9-5-3-6-10-19)23-21(25)13-15-27-28-16-14-22(26)24-18(2)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H,23,25)(H,24,26)/t17-,18-/m0/s1
InChIKey BWFVSYHFBDPFBZ-ROUUACIJSA-N
Molecular Weight 416.598 g/mol
SMILES C(N[C@](C=1C=CC=CC1)(C)[H])(CCSSCCC(N[C@](C1=CC=CC=C1)(C)[H])=O)=O