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Tert-butyl 2-[(S)-N-(4-methoxyphenylsulfonyl)]aminobutanoate
SpectraBase Compound ID HAVBJDxZiR6
InChI InChI=1S/C15H23NO5S/c1-6-13(14(17)21-15(2,3)4)16-22(18,19)12-9-7-11(20-5)8-10-12/h7-10,13,16H,6H2,1-5H3/t13-/m0/s1
InChIKey CKDVEFWIFYJWQT-ZDUSSCGKSA-N
Mol Weight 329.41 g/mol
Molecular Formula C15H23NO5S
Exact Mass 329.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fvjqXKSae
Name Tert-butyl 2-[(S)-N-(4-methoxyphenylsulfonyl)]aminobutanoate
Appearance White solid
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Formula C15H23NO5S
InChI InChI=1S/C15H23NO5S/c1-6-13(14(17)21-15(2,3)4)16-22(18,19)12-9-7-11(20-5)8-10-12/h7-10,13,16H,6H2,1-5H3/t13-/m0/s1
InChIKey CKDVEFWIFYJWQT-ZDUSSCGKSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 329.411 g/mol
Optical Rotation [a]D20 = +21.3 (589 nm), 22.3 (578 nm), 26.2 (546 nm), 54.4 (436 nm), 110.5 (365 nm) (c = 1.009, CHCl3)
SMILES N(S(c1ccc(cc1)OC)(=O)=O)[C@](C(OC(C)(C)C)=O)(CC)[H]
SPLASH splash10-00fr-1950000000-93a2be4dba403c0602ba
Source of Spectrum US2012282180A1
Wiley ID 1846682