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2-[(S)-[2-[(1R)-1-(pivaloylamino)ethyl]phenyl]sulfinyl]acetic acid tert-butyl ester
SpectraBase Compound ID YC6iNU94sJ
InChI InChI=1S/C19H29NO4S/c1-13(20-17(22)18(2,3)4)14-10-8-9-11-15(14)25(23)12-16(21)24-19(5,6)7/h8-11,13H,12H2,1-7H3,(H,20,22)/t13-,25?/m1/s1
InChIKey HYZJPKBDMRPSOH-POIHQHRPSA-N
Mol Weight 367.5 g/mol
Molecular Formula C19H29NO4S
Exact Mass 367.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8QxLoWuaYv
Name 2-[(S)-[2-[(1R)-1-(pivaloylamino)ethyl]phenyl]sulfinyl]acetic acid tert-butyl ester
Alternate Name(s) 2-[(S)-[2-[(1R)-1-[(2,2-dimethyl-1-oxopropyl)amino]ethyl]phenyl]sulfinyl]acetic acid tert-butyl ester tert-butyl 2-[(S)-[2-[(1R)-1-(2,2-dimethylpropanoylamino)ethyl]phenyl]sulfinyl]acetate tert-butyl 2-[(S)-[2-[(1R)-1-(2,2-dimethylpropanoylamino)ethyl]phenyl]sulfinyl]ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C19H29NO4S
InChI InChI=1S/C19H29NO4S/c1-13(20-17(22)18(2,3)4)14-10-8-9-11-15(14)25(23)12-16(21)24-19(5,6)7/h8-11,13H,12H2,1-7H3,(H,20,22)/t13-,25?/m1/s1
InChIKey HYZJPKBDMRPSOH-POIHQHRPSA-N
Molecular Weight 367.504 g/mol
SMILES N(C(C(C)(C)C)=O)[C@@](c1c([S@](CC(OC(C)(C)C)=O)=O)cccc1)(C)[H]
SPLASH splash10-03di-0009000000-cd8c79f20bc9ceee1de3
Source of Spectrum KC-1993-1585-10
Wiley ID 778386