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Propanoic acid, 3-[4-(methylsulfonyl)phenoxy]-
SpectraBase Compound ID NOa5DtBqz4
InChI InChI=1S/C10H12O5S/c1-16(13,14)9-4-2-8(3-5-9)15-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChIKey CRWDFILKKMNMBX-UHFFFAOYSA-N
Mol Weight 244.26 g/mol
Molecular Formula C10H12O5S
Exact Mass 244.040545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wbWMXF2q8
Name Propanoic acid, 3-[4-(methylsulfonyl)phenoxy]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O5S
InChI InChI=1S/C10H12O5S/c1-16(13,14)9-4-2-8(3-5-9)15-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChIKey CRWDFILKKMNMBX-UHFFFAOYSA-N
Molecular Weight 244.261 g/mol
SMILES OC(CCOc1ccc(S(C)(=O)=O)cc1)=O
SPLASH splash10-05ox-9310000000-bf76fb6dc709fe68e830
Source of Spectrum JX-2015-1-425
Synonyms 3-(4-(Methylsulfonyl)phenoxy)propanoic acid 3-[4-(Methylsulfonyl)phenoxy]propanoic acid 3-(4-Methylsulfonylphenoxy)propanoic acid
Wiley ID 1721255