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2-(1-Phenylsulfonylpyrrol-3-yl)propanoic acid
SpectraBase Compound ID 13sliGJS4Uv
InChI InChI=1S/C13H13NO4S/c1-10(13(15)16)11-7-8-14(9-11)19(17,18)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)
InChIKey SIIHAJVMCSTNFO-UHFFFAOYSA-N
Mol Weight 279.31 g/mol
Molecular Formula C13H13NO4S
Exact Mass 279.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1Tq4HQszEr
Name 2-(1-Phenylsulfonylpyrrol-3-yl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO4S
InChI InChI=1S/C13H13NO4S/c1-10(13(15)16)11-7-8-14(9-11)19(17,18)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)
InChIKey SIIHAJVMCSTNFO-UHFFFAOYSA-N
Molecular Weight 279.310 g/mol
SMILES OC(C(c1c[n](S(=O)(=O)c2ccccc2)cc1)C)=O
SPLASH splash10-0059-6190000000-2a30539ad56d64846514
Source of Spectrum F-48-7457-9
Synonyms 2-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]propanoic acid 2-[1-(benzenesulfonyl)-3-pyrrolyl]propanoic acid 2-[1-(benzenesulfonyl)pyrrol-3-yl]propanoic acid 2-[1-(phenylsulfonyl)pyrrol-3-yl]propanoic acid
Wiley ID 1282797