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6-(N-Benzenesulfonyl-N-methylamino)-2-(phenylthio)hexanoic acid
SpectraBase Compound ID LHp9e9jVVqT
InChI InChI=1S/C19H23NO4S2/c1-20(26(23,24)17-12-6-3-7-13-17)15-9-8-14-18(19(21)22)25-16-10-4-2-5-11-16/h2-7,10-13,18H,8-9,14-15H2,1H3,(H,21,22)
InChIKey LDLXXTPYVYHQDM-UHFFFAOYSA-N
Mol Weight 393.52 g/mol
Molecular Formula C19H23NO4S2
Exact Mass 393.106851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hRTD8ya5EC
Name 6-(N-Benzenesulfonyl-N-methylamino)-2-(phenylthio)hexanoic acid
Alternate Name(s) (S)-6-(N-Benzenesulfonyl-N-methylamino)-2-(phenylthio)hexanoic acid 6-[methyl(phenylsulfonyl)amino]-2-(phenylsulfanyl)hexanoic acid
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Formula C19H23NO4S2
InChI InChI=1S/C19H23NO4S2/c1-20(26(23,24)17-12-6-3-7-13-17)15-9-8-14-18(19(21)22)25-16-10-4-2-5-11-16/h2-7,10-13,18H,8-9,14-15H2,1H3,(H,21,22)
InChIKey LDLXXTPYVYHQDM-UHFFFAOYSA-N
Molecular Weight 393.516 g/mol
SMILES OC(C(Sc1ccccc1)CCCCN(S(=O)(=O)c1ccccc1)C)=O
SPLASH splash10-002f-9300000000-01de84e8605165b12dae
Source of Spectrum QC-8-2443-7
Wiley ID 870026