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3-(3-chloro-1-pyrrolidinyl)-4-phenoxy-5-sulfamoylbenzoic acid, methyl ester

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3-(3-chloro-1-pyrrolidinyl)-4-phenoxy-5-sulfamoylbenzoic acid, methyl ester
SpectraBase Compound ID 9oM7skmzzQo
InChI InChI=1S/C18H19ClN2O5S/c1-25-18(22)12-9-15(21-8-7-13(19)11-21)17(16(10-12)27(20,23)24)26-14-5-3-2-4-6-14/h2-6,9-10,13H,7-8,11H2,1H3,(H2,20,23,24)
InChIKey KSSBCHHJZDXKDW-UHFFFAOYSA-N
Mol Weight 410.87 g/mol
Molecular Formula C18H19ClN2O5S
Exact Mass 410.070321 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7JEZfZeaCIY
Name 3-(3-CHLORO-1-PYRROLIDINYL)-4-PHENOXY-5-SULFAMOYLBENZOIC ACID, METHYL ESTER
Source of Sample D. Bormann, W. Merkel and D. Mania, Hoechst Aktiengessellschaft, Frankfurt/Main, Germany
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19ClN2O5S
InChI InChI=1S/C18H19ClN2O5S/c1-25-18(22)12-9-15(21-8-7-13(19)11-21)17(16(10-12)27(20,23)24)26-14-5-3-2-4-6-14/h2-6,9-10,13H,7-8,11H2,1H3,(H2,20,23,24)
InChIKey KSSBCHHJZDXKDW-UHFFFAOYSA-N
Molecular Weight 410.88
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, 3-/3-CHLORO-1-PYRROLIDINYL/-4-PHENOXY-5-SULFAMOYL-, METHYL ESTER