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3-Deuterio-2-methyl-3-(4-methylphenyl)sulfonyl-propanoic acid
SpectraBase Compound ID K2Yuy4JRvqc
InChI InChI=1S/C11H14O4S/c1-8-3-5-10(6-4-8)16(14,15)7-9(2)11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)/i7D
InChIKey ITYNUBLPNWAXAK-WHRKIXHSSA-N
Mol Weight 243.3 g/mol
Molecular Formula C11H13DO4S
Exact Mass 243.067557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GN8jgsByEws
Name 3-Deuterio-2-methyl-3-(4-methylphenyl)sulfonyl-propanoic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13DO4S
InChI InChI=1S/C11H14O4S/c1-8-3-5-10(6-4-8)16(14,15)7-9(2)11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)/i7D
InChIKey ITYNUBLPNWAXAK-WHRKIXHSSA-N
Molecular Weight 243.295 g/mol
SMILES OC(C(C(S(c1ccc(C)cc1)(=O)=O)[D])C)=O
SPLASH splash10-0006-9200000000-f067ecaa1cfd7fe28bed
Source of Spectrum J-59-3207-12
Synonyms 3-Deuterio-2-methyl-3-(p-tolylsulfonyl)propanoic acid 3-Deuterio-2-methyl-3-tosyl-propionic acid
Wiley ID 1244668