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(2S,3R)-2-Benzyl-3-hydroxy-3-naphthalen-2-yl-dithiopropionic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(2S,3R)-2-Benzyl-3-hydroxy-3-naphthalen-2-yl-dithiopropionic acid methyl ester
SpectraBase Compound ID Gra93pnoQ6v
InChI InChI=1S/C21H20OS2/c1-24-21(23)19(13-15-7-3-2-4-8-15)20(22)18-12-11-16-9-5-6-10-17(16)14-18/h2-12,14,19-20,22H,13H2,1H3/t19-,20-/m0/s1
InChIKey JQIDTSGQGPUBAH-PMACEKPBSA-N
Mol Weight 352.51 g/mol
Molecular Formula C21H20OS2
Exact Mass 352.095558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2m13U2FiwS
Name (2S,3R)-2-Benzyl-3-hydroxy-3-naphthalen-2-yl-dithiopropionic acid methyl ester
Alternate Name(s) Methyl (2S,3R)-2-benzyl-3-hydroxy-3-(2-naphthyl)propanedithioate Methyl threo-2-Benzyl-3-hydroxy-3-(2-naphthyl)propanedithioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20OS2
InChI InChI=1S/C21H20OS2/c1-24-21(23)19(13-15-7-3-2-4-8-15)20(22)18-12-11-16-9-5-6-10-17(16)14-18/h2-12,14,19-20,22H,13H2,1H3/t19-,20-/m0/s1
InChIKey JQIDTSGQGPUBAH-PMACEKPBSA-N
Molecular Weight 352.510 g/mol
SMILES O[C@]([C@@](C(=S)SC)(Cc1ccccc1)[H])(c1cc2ccccc2cc1)[H]
SPLASH splash10-05oy-3900000000-3fc0c027883496ee3d19
Source of Spectrum AJ-72-816-7
Wiley ID 774991