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Dimethyl [(S)-{[(R)-(tert-Butyl)sulfinyl]amino}(phenyl)methyl]propanedioate
SpectraBase Compound ID DakCklVcoQK
InChI InChI=1S/C16H23NO5S/c1-16(2,3)23(20)17-13(11-9-7-6-8-10-11)12(14(18)21-4)15(19)22-5/h6-10,12-13,17H,1-5H3/t13-,23?/m1/s1
InChIKey QIDXUMXWLNNFGU-JHQYKTOJSA-N
Mol Weight 341.42 g/mol
Molecular Formula C16H23NO5S
Exact Mass 341.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QllXKP11RI
Name Dimethyl [(S)-{[(R)-(tert-Butyl)sulfinyl]amino}(phenyl)methyl]propanedioate
Alternate Name(s) Dimethyl 2-((S)-(((R)-tert-butylsulfinyl)amino)(phenyl)methyl)malonate
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Formula C16H23NO5S
InChI InChI=1S/C16H23NO5S/c1-16(2,3)23(20)17-13(11-9-7-6-8-10-11)12(14(18)21-4)15(19)22-5/h6-10,12-13,17H,1-5H3/t13-,23?/m1/s1
InChIKey QIDXUMXWLNNFGU-JHQYKTOJSA-N
Literature Reference DOI 10.1002/hlca.201200303
Molecular Weight 341.422 g/mol
SMILES N([S@](=O)C(C)(C)C)[C@](c1ccccc1)(C(C(=O)OC)C(=O)OC)[H]
SPLASH splash10-0uxr-4940000000-15da8af45cecda7b84bd
Source of Spectrum H-95-1796-3d
Wiley ID 1784171