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N-Carbobenzyloxy-S-benzylcysteine sulfone
SpectraBase Compound ID 2UKL4dFgQtk
InChI InChI=1S/C18H19NO6S/c20-17(21)16(13-26(23,24)12-15-9-5-2-6-10-15)19-18(22)25-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,19,22)(H,20,21)
InChIKey YXQLSAXGKKWQGO-UHFFFAOYSA-N
Mol Weight 377.41 g/mol
Molecular Formula C18H19NO6S
Exact Mass 377.093309 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5RDbQ1yxnbC
Name N-Carbobenzyloxy-S-benzylcysteine sulfone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.093308504 u
Formula C18H19NO6S
InChI InChI=1S/C18H19NO6S/c20-17(21)16(13-26(23,24)12-15-9-5-2-6-10-15)19-18(22)25-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,19,22)(H,20,21)
InChIKey YXQLSAXGKKWQGO-UHFFFAOYSA-N
Molecular Weight 377.411 g/mol
SMILES C(O)(C(CS(=O)(=O)CC1=CC=CC=C1)NC(=O)OCC=1C=CC=CC1)=O