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bis{2-[Acetoxy(phenyl)methylcarbonyl]amino-3-phenylpropyl}sulfide

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bis{2-[Acetoxy(phenyl)methylcarbonyl]amino-3-phenylpropyl}sulfide
SpectraBase Compound ID HuPKmZWIg2T
InChI InChI=1S/C38H40N2O6S/c1-27(41)45-35(31-19-11-5-12-20-31)37(43)39-33(23-29-15-7-3-8-16-29)25-47-26-34(24-30-17-9-4-10-18-30)40-38(44)36(46-28(2)42)32-21-13-6-14-22-32/h3-22,33-36H,23-26H2,1-2H3,(H,39,43)(H,40,44)
InChIKey HFHIQBHDJXBRJL-UHFFFAOYSA-N
Mol Weight 652.8 g/mol
Molecular Formula C38H40N2O6S
Exact Mass 652.260708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JW6Lbko3SYA
Name bis{2-[Acetoxy(phenyl)methylcarbonyl]amino-3-phenylpropyl}sulfide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 652.260708184 u
Formula C38H40N2O6S
InChI InChI=1S/C38H40N2O6S/c1-27(41)45-35(31-19-11-5-12-20-31)37(43)39-33(23-29-15-7-3-8-16-29)25-47-26-34(24-30-17-9-4-10-18-30)40-38(44)36(46-28(2)42)32-21-13-6-14-22-32/h3-22,33-36H,23-26H2,1-2H3,(H,39,43)(H,40,44)
InChIKey HFHIQBHDJXBRJL-UHFFFAOYSA-N
Molecular Weight 652.806 g/mol
SMILES C(C(OC(=O)C)C1=CC=CC=C1)(NC(CC1=CC=CC=C1)CSCC(NC(C(OC(=O)C)C=1C=CC=CC1)=O)CC1=CC=CC=C1)=O