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N-(3,5-dimethylsalicyl)-beta-alanine

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N-(3,5-dimethylsalicyl)-beta-alanine
SpectraBase Compound ID IfR4T2lOQq0
InChI InChI=1S/C12H17NO3/c1-8-5-9(2)12(16)10(6-8)7-13-4-3-11(14)15/h5-6,13,16H,3-4,7H2,1-2H3,(H,14,15)
InChIKey IEKAZYAHOKRIPP-UHFFFAOYSA-N
Mol Weight 223.27 g/mol
Molecular Formula C12H17NO3
Exact Mass 223.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29XOLDxjhth
Name 3-[(2-hydroxy-3,5-dimethyl-benzyl)amino]propionic acid
CAS Registry Number 82645-12-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO3
InChI InChI=1S/C12H17NO3/c1-8-5-9(2)12(16)10(6-8)7-13-4-3-11(14)15/h5-6,13,16H,3-4,7H2,1-2H3,(H,14,15)
InChIKey IEKAZYAHOKRIPP-UHFFFAOYSA-N
Molecular Weight 223.272 g/mol
SMILES N(CCC(O)=O)Cc1cc(cc(c1O)C)C
SPLASH splash10-03e9-2900000000-a9f4aa357ad211d3c3f9
Source of Spectrum W5-1989-33774-31762
Synonyms 3-[(2-hydroxy-3,5-dimethyl-phenyl)methylamino]propanoic acid 3-[(3,5-dimethyl-2-oxidanyl-phenyl)methylamino]propanoic acid N-(2-Hydroxy-3,5-dimethylbenzyl)-.beta.-aminopropanoic acid
Wiley ID 1223991