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(1S,2S)-2-o-Toluamide-1-[4-(methylthio)phenyl]-1,3-O-isopropylidenepropane
SpectraBase Compound ID HyJ1sGda8ec
InChI InChI=1S/C21H25NO3S/c1-14-7-5-6-8-17(14)20(23)22-18-13-24-21(2,3)25-19(18)15-9-11-16(26-4)12-10-15/h5-12,18-19H,13H2,1-4H3,(H,22,23)/t18-,19-/m0/s1
InChIKey UADUWXPKFUCIRN-OALUTQOASA-N
Mol Weight 371.5 g/mol
Molecular Formula C21H25NO3S
Exact Mass 371.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wqEMrvCUyK
Name (1S,2S)-2-o-Toluamide-1-[4-(methylthio)phenyl]-1,3-O-isopropylidenepropane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO3S
InChI InChI=1S/C21H25NO3S/c1-14-7-5-6-8-17(14)20(23)22-18-13-24-21(2,3)25-19(18)15-9-11-16(26-4)12-10-15/h5-12,18-19H,13H2,1-4H3,(H,22,23)/t18-,19-/m0/s1
InChIKey UADUWXPKFUCIRN-OALUTQOASA-N
Molecular Weight 371.495 g/mol
SMILES N([C@@]1([C@@](OC(OC1)(C)C)(c1ccc(cc1)SC)[H])[H])C(c1c(C)cccc1)=O
SPLASH splash10-0gb9-1900000000-693cfa1c317d8baeaf2a
Source of Spectrum KD-16-1118-4
Synonyms N-[(4S,5S)-2,2-dimethyl-4-[4-(methylthio)phenyl]-1,3-dioxan-5-yl]-2-methylbenzamide N-[(4S,5S)-2,2-dimethyl-4-(4-methylsulfanylphenyl)-1,3-dioxan-5-yl]-2-methylbenzamide N-[(4S,5S)-2,2-dimethyl-4-(4-methylsulfanylphenyl)-1,3-dioxan-5-yl]-2-methyl-benzamide
Wiley ID 1636897