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Tert-butyl (S)-N-(4-methoxyphenylsulfonyl)-N-(3-pyridylmethyl)-2-amino-4-fluorobutanhydroxamate
SpectraBase Compound ID BkWK99wCddK
InChI InChI=1S/C21H28FN3O5S/c1-21(2,3)30-24-20(26)19(11-12-22)25(15-16-6-5-13-23-14-16)31(27,28)18-9-7-17(29-4)8-10-18/h5-10,13-14,19H,11-12,15H2,1-4H3,(H,24,26)/t19-/m0/s1
InChIKey CWSFNNJEEMPQKB-IBGZPJMESA-N
Mol Weight 453.53 g/mol
Molecular Formula C21H28FN3O5S
Exact Mass 453.17337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GU1ZhDPCe1n
Name Tert-butyl (S)-N-(4-methoxyphenylsulfonyl)-N-(3-pyridylmethyl)-2-amino-4-fluorobutanhydroxamate
Appearance White solid
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Formula C21H28FN3O5S
InChI InChI=1S/C21H28FN3O5S/c1-21(2,3)30-24-20(26)19(11-12-22)25(15-16-6-5-13-23-14-16)31(27,28)18-9-7-17(29-4)8-10-18/h5-10,13-14,19H,11-12,15H2,1-4H3,(H,24,26)/t19-/m0/s1
InChIKey CWSFNNJEEMPQKB-IBGZPJMESA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 453.529 g/mol
Optical Rotation [a]D20 = +17.9 (589 nm), +18.7 (578 nm), +21.7 (546 nm), +40.7 (436 nm), +75.1 (365 nm) (c = 1.005, CHCl3)
SMILES N(C([C@@](N(S(c1ccc(cc1)OC)(=O)=O)Cc1cnccc1)(CCF)[H])=O)OC(C)(C)C
SPLASH splash10-0udj-0109700000-d92f036957d04cd36fb1
Source of Spectrum US2012282180A1
Wiley ID 1846681