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(1S,2S)-2-N-Methyl-N-benzylamino-1-phenyl-1,3-propanedithiol dibenzoate
SpectraBase Compound ID TsF0ObyH4l
InChI InChI=1S/C31H29NO2S2/c1-32(22-24-14-6-2-7-15-24)28(23-35-30(33)26-18-10-4-11-19-26)29(25-16-8-3-9-17-25)36-31(34)27-20-12-5-13-21-27/h2-21,28-29H,22-23H2,1H3/t28-,29-/m0/s1
InChIKey JMFJLZDNLCLXOK-VMPREFPWSA-N
Mol Weight 511.7 g/mol
Molecular Formula C31H29NO2S2
Exact Mass 511.163972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SYhbRDKpf6
Name (1S,2S)-2-N-Methyl-N-benzylamino-1-phenyl-1,3-propanedithiol dibenzoate
Alternate Name(s) S-{(1S,2S)-3-(benzoylsulfanyl)-2-[benzyl(methyl)amino]-1-phenylpropyl} benzenecarbothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H29NO2S2
InChI InChI=1S/C31H29NO2S2/c1-32(22-24-14-6-2-7-15-24)28(23-35-30(33)26-18-10-4-11-19-26)29(25-16-8-3-9-17-25)36-31(34)27-20-12-5-13-21-27/h2-21,28-29H,22-23H2,1H3/t28-,29-/m0/s1
InChIKey JMFJLZDNLCLXOK-VMPREFPWSA-N
Molecular Weight 511.698 g/mol
SMILES [C@](SC(=O)c1ccccc1)([C@@](N(Cc1ccccc1)C)(CSC(=O)c1ccccc1)[H])(c1ccccc1)[H]
SPLASH splash10-053u-8970000000-b93ba8792a32c581cf1c
Source of Spectrum F-53-10621-17
Wiley ID 803094