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3-Tosylpropanoic Acid
SpectraBase Compound ID HHGq9jNqbhD
InChI InChI=1S/C10H12O4S/c1-8-2-4-9(5-3-8)15(13,14)7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChIKey HXZLEMZJRUFEKH-UHFFFAOYSA-N
Mol Weight 228.26 g/mol
Molecular Formula C10H12O4S
Exact Mass 228.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9nTRuRGrlhn
Name 3-Tosylpropanoic Acid
Alternate Name(s) 3-(p-tolylsulfonyl)propanoic acid 3-Tosylpropionic acid 3-[(4-methylphenyl)sulfonyl]propanoic acid
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Formula C10H12O4S
InChI InChI=1S/C10H12O4S/c1-8-2-4-9(5-3-8)15(13,14)7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChIKey HXZLEMZJRUFEKH-UHFFFAOYSA-N
Molecular Weight 228.262 g/mol
SMILES OC(CCS(c1ccc(cc1)C)(=O)=O)=O
SPLASH splash10-0006-9200000000-e8b0952aa42e9855a90d
Source of Spectrum J-59-3205-10
Wiley ID 1229210