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Tert-butyl (R)-N-(4-methoxyphenylsulfonyl)-.gamma.-fluoro-.alpha.-aminobutanoate
SpectraBase Compound ID 4mkIfcTiSS3
InChI InChI=1S/C15H22FNO5S/c1-15(2,3)22-14(18)13(9-10-16)17-23(19,20)12-7-5-11(21-4)6-8-12/h5-8,13,17H,9-10H2,1-4H3/t13-/m1/s1
InChIKey VGAKCNJQZRYCAO-CYBMUJFWSA-N
Mol Weight 347.4 g/mol
Molecular Formula C15H22FNO5S
Exact Mass 347.120272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2EzDW9qxpA
Name Tert-butyl (R)-N-(4-methoxyphenylsulfonyl)-.gamma.-fluoro-.alpha.-aminobutanoate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22FNO5S
InChI InChI=1S/C15H22FNO5S/c1-15(2,3)22-14(18)13(9-10-16)17-23(19,20)12-7-5-11(21-4)6-8-12/h5-8,13,17H,9-10H2,1-4H3/t13-/m1/s1
InChIKey VGAKCNJQZRYCAO-CYBMUJFWSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 347.401 g/mol
Optical Rotation [a]D20 = +24.7 (589 nm), +26.1 (578 nm), +30.4 (546 nm), +61.2 (436 nm), +118.4 (365 nm) (c = 1.015, CHCl3)
SMILES N(S(c1ccc(cc1)OC)(=O)=O)[C@@](C(=O)OC(C)(C)C)(CCF)[H]
SPLASH splash10-05fs-7940000000-2449b1ea0839f67e2e1f
Source of Spectrum US2012282180A1
Wiley ID 1846685