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N-Butyl N-acetylalanine, 3,3'-dithiobis-

View entire compound with spectra: 1 NMR

N-Butyl N-acetylalanine, 3,3'-dithiobis-
SpectraBase Compound ID 2rUVfamqfit
InChI InChI=1S/C18H32N2O6S2/c1-5-7-9-25-17(23)15(19-13(3)21)11-27-28-12-16(20-14(4)22)18(24)26-10-8-6-2/h15-16H,5-12H2,1-4H3,(H,19,21)(H,20,22)
InChIKey XWQMSWYZZZFAFH-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C18H32N2O6S2
Exact Mass 436.170179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GsUoz8x4RB6
Name N-Butyl N-acetylalanine, 3,3'-dithiobis-
Comments Computed using HOSE algorithm
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Exact Mass 436.170179100 u
Formula C18H32N2O6S2
InChI InChI=1S/C18H32N2O6S2/c1-5-7-9-25-17(23)15(19-13(3)21)11-27-28-12-16(20-14(4)22)18(24)26-10-8-6-2/h15-16H,5-12H2,1-4H3,(H,19,21)(H,20,22)
InChIKey XWQMSWYZZZFAFH-UHFFFAOYSA-N
Molecular Weight 436.582 g/mol
SMILES CCCCOC(C(CSSCC(C(OCCCC)=O)NC(=O)C)NC(C)=O)=O