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Methyl 2-[(S)-N-(4-methoxyphenylsulfonyl)]aminobutanoate
SpectraBase Compound ID LSBLyncKRtO
InChI InChI=1S/C12H17NO5S/c1-4-11(12(14)18-3)13-19(15,16)10-7-5-9(17-2)6-8-10/h5-8,11,13H,4H2,1-3H3/t11-/m0/s1
InChIKey WPVMHKABVWEZQP-NSHDSACASA-N
Mol Weight 287.33 g/mol
Molecular Formula C12H17NO5S
Exact Mass 287.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uu1YnefwhK
Name Methyl 2-[(S)-N-(4-methoxyphenylsulfonyl)]aminobutanoate
Appearance White solid
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Formula C12H17NO5S
InChI InChI=1S/C12H17NO5S/c1-4-11(12(14)18-3)13-19(15,16)10-7-5-9(17-2)6-8-10/h5-8,11,13H,4H2,1-3H3/t11-/m0/s1
InChIKey WPVMHKABVWEZQP-NSHDSACASA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 287.330 g/mol
Optical Rotation [a]D20 = +8.4 (589 nm), +8.7 (578 nm), +10.7 (546 nm), +27.0 (436 nm), +64.0 (365 nm) (c = 1.001, CHCl3)
SMILES N(S(c1ccc(cc1)OC)(=O)=O)[C@](C(OC)=O)(CC)[H]
SPLASH splash10-00fr-1940000000-3c8ac88e70220d1a0714
Source of Spectrum US2012282180A1
Wiley ID 1846684