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(S)-Ethyl-2-(2,4-bis(methylthio)phenyl)-2-(1,1-dimethylethylsulfonamido)acetate
SpectraBase Compound ID JcLdw8nuLxW
InChI InChI=1S/C16H25NO4S3/c1-7-21-15(18)14(17-24(19,20)16(2,3)4)12-9-8-11(22-5)10-13(12)23-6/h8-10,14,17H,7H2,1-6H3/t14-/m0/s1
InChIKey ZVIWIOMOQSOXRV-AWEZNQCLSA-N
Mol Weight 391.56 g/mol
Molecular Formula C16H25NO4S3
Exact Mass 391.094572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1iJOBJ63SC
Name (S)-Ethyl-2-(2,4-bis(methylthio)phenyl)-2-(1,1-dimethylethylsulfonamido)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NO4S3
InChI InChI=1S/C16H25NO4S3/c1-7-21-15(18)14(17-24(19,20)16(2,3)4)12-9-8-11(22-5)10-13(12)23-6/h8-10,14,17H,7H2,1-6H3/t14-/m0/s1
InChIKey ZVIWIOMOQSOXRV-AWEZNQCLSA-N
Literature Reference DOI 10.1002/adsc.201000143
Molecular Weight 391.559 g/mol
SMILES N(S(=O)(=O)C(C)(C)C)[C@@](c1c(cc(cc1)SC)SC)(C(OCC)=O)[H]
SPLASH splash10-006t-2971000000-5e001e18515ef241513b
Source of Spectrum ASC-352-1413/SM9-3i
Synonyms (S)-ethyl 2-(2,4-bis(methylthio)phenyl)-2-(1,1-dimethylethylsulfonamido)acetate Ethyl (2S)-2-[2,4-bis(methylsulfanyl)phenyl]-2-(tert-butylsulfonylamino)acetate Ethyl (2S)-2-[2,4-bis(methylsulfanyl)phenyl]-2-(tert-butylsulfonylamino)ethanoate
Wiley ID 1764537