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(2S)-2-(2,2-dimethylpropanoylamino)-3-phenyl-propane-1-sulfonic acid
SpectraBase Compound ID IiejeNcoWsc
InChI InChI=1S/C14H21NO4S/c1-14(2,3)13(16)15-12(10-20(17,18)19)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,15,16)(H,17,18,19)/t12-/m0/s1
InChIKey SBNUNMBVMWXBMC-LBPRGKRZSA-N
Mol Weight 299.38 g/mol
Molecular Formula C14H21NO4S
Exact Mass 299.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GW25sONIlpx
Name (2S)-2-(2,2-dimethylpropanoylamino)-3-phenyl-propane-1-sulfonic acid
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Formula C14H21NO4S
InChI InChI=1S/C14H21NO4S/c1-14(2,3)13(16)15-12(10-20(17,18)19)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,15,16)(H,17,18,19)/t12-/m0/s1
InChIKey SBNUNMBVMWXBMC-LBPRGKRZSA-N
Molecular Weight 299.385 g/mol
SMILES N([C@](CS(=O)(=O)O)(Cc1ccccc1)[H])C(=O)C(C)(C)C
SPLASH splash10-11ou-0490000000-4dc3562aedb4e704ee43
Source of Spectrum KC-0-941-10
Synonyms (2S)-2-[(2,2-dimethyl-1-oxopropyl)amino]-3-phenyl-1-propanesulfonic acid (2S)-3-phenyl-2-(pivaloylamino)propane-1-sulfonic acid
Wiley ID 787707