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(S)-3-(4-Thiazolyl)-2-benzoylaminopropanoic acid
SpectraBase Compound ID CwGPlVBedTR
InChI InChI=1S/C13H12N2O3S/c16-12(9-4-2-1-3-5-9)15-11(13(17)18)6-10-7-19-8-14-10/h1-5,7-8,11H,6H2,(H,15,16)(H,17,18)/t11-/m0/s1
InChIKey JDEGFJDAIBOFLM-NSHDSACASA-N
Mol Weight 276.31 g/mol
Molecular Formula C13H12N2O3S
Exact Mass 276.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSFl3E7pSQJ
Name (S)-3-(4-Thiazolyl)-2-benzoylaminopropanoic acid
Alternate Name(s) (2S)-2-(benzoylamino)-3-(1,3-thiazol-4-yl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O3S
InChI InChI=1S/C13H12N2O3S/c16-12(9-4-2-1-3-5-9)15-11(13(17)18)6-10-7-19-8-14-10/h1-5,7-8,11H,6H2,(H,15,16)(H,17,18)/t11-/m0/s1
InChIKey JDEGFJDAIBOFLM-NSHDSACASA-N
Molecular Weight 276.310 g/mol
SMILES N(C(=O)c1ccccc1)[C@](C(=O)O)(Cc1ncsc1)[H]
SPLASH splash10-0a6r-3900000000-7e1082a874e95b197bf7
Source of Spectrum O1-63-2390-5
Wiley ID 1592888