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(1-Benzenesulfonyl-1H-pyrrol-3-yl)acetic acid, methyl ester
SpectraBase Compound ID kbvHmaUxQ4
InChI InChI=1S/C13H13NO4S/c1-18-13(15)9-11-7-8-14(10-11)19(16,17)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKey YWWQOPBETNBRBV-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 Kpg9OQN4lQo
Name (1-Benzenesulfonyl-1H-pyrrol-3-yl)acetic acid, methyl ester
CAS Registry Number 86688-97-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO4S
InChI InChI=1S/C13H13NO4S/c1-18-13(15)9-11-7-8-14(10-11)19(16,17)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKey YWWQOPBETNBRBV-UHFFFAOYSA-N
Molecular Weight 279.310 g/mol
SMILES c1cccc(S([n]2cc(cc2)CC(=O)OC)(=O)=O)c1
SPLASH splash10-004i-9130000000-4a5e91e9912351df9818
Synonyms 2-(1-besylpyrrol-3-yl)acetic acid methyl ester 2-[1-(benzenesulfonyl)-3-pyrrolyl]acetic acid methyl ester Methyl 2-[1-(benzenesulfonyl)pyrrol-3-yl]acetate Methyl 2-[1-(phenylsulfonyl)pyrrol-3-yl]ethanoate
Wiley ID 1483039