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5,5-Dimethyl-2-phenyl-thiazolidine-4-carboxylic acid
SpectraBase Compound ID E7B5SQbLIqr
InChI InChI=1S/C12H15NO2S/c1-12(2)9(11(14)15)13-10(16-12)8-6-4-3-5-7-8/h3-7,9-10,13H,1-2H3,(H,14,15)
InChIKey LZDQTBBSEWXLTA-UHFFFAOYSA-N
Mol Weight 237.32 g/mol
Molecular Formula C12H15NO2S
Exact Mass 237.08235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BxehaJxHStU
Name 4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 237.082349899 u
Formula C12H15NO2S
InChI InChI=1S/C12H15NO2S/c1-12(2)9(11(14)15)13-10(16-12)8-6-4-3-5-7-8/h3-7,9-10,13H,1-2H3,(H,14,15)
InChIKey LZDQTBBSEWXLTA-UHFFFAOYSA-N
Molecular Weight 237.317 g/mol
SMILES CC1(C)SC(C2=CC=CC=C2)NC1C(O)=O