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(2R,5S)-tert-butyl 2-[(tert-butoxycarbonyl)amino]-4-(methylsulfinyl)butanoate

View entire compound with spectra: 1 NMR

(2R,5S)-tert-butyl 2-[(tert-butoxycarbonyl)amino]-4-(methylsulfinyl)butanoate
SpectraBase Compound ID 6p7SL4slmn5
InChI InChI=1S/C14H27NO5S/c1-13(2,3)19-11(16)10(8-9-21(7)18)15-12(17)20-14(4,5)6/h10H,8-9H2,1-7H3,(H,15,17)/t10-,21?/m1/s1
InChIKey JQJQKOWEJHCIKL-KXPFFURISA-N
Mol Weight 321.43 g/mol
Molecular Formula C14H27NO5S
Exact Mass 321.160994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ukei3EarsE
Name (2R,5S)-Tert-butyl 2-[(tert-butoxycarbonyl)amino]-4-(methylsulfinyl)butanoate
Comments Computed using HOSE algorithm
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Exact Mass 321.160994142 u
Formula C14H27NO5S
InChI InChI=1S/C14H27NO5S/c1-13(2,3)19-11(16)10(8-9-21(7)18)15-12(17)20-14(4,5)6/h10H,8-9H2,1-7H3,(H,15,17)/t10-,21?/m1/s1
InChIKey JQJQKOWEJHCIKL-KXPFFURISA-N
Molecular Weight 321.432 g/mol
SMILES C(N[C@@](C(OC(C)(C)C)=O)(CC[S@@](=O)C)[H])(OC(C)(C)C)=O