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2-phenoxythionicotinic acid, S-(carboxymethyl)ester, ethyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

2-phenoxythionicotinic acid, S-(carboxymethyl)ester, ethyl ester
SpectraBase Compound ID 6D1oqq4oHYQ
InChI InChI=1S/C16H15NO4S/c1-2-20-14(18)11-22-16(19)13-9-6-10-17-15(13)21-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKey DCJQHAMCLBTEFL-UHFFFAOYSA-N
Mol Weight 317.36 g/mol
Molecular Formula C16H15NO4S
Exact Mass 317.072179 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3ZROLmKT4Z4
Name 2-PHENOXYTHIONICOTINIC ACID, S-(CARBOXYMETHYL) ESTER, ETHYL ESTER
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number BTB 3058
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NO4S
InChI InChI=1S/C16H15NO4S/c1-2-20-14(18)11-22-16(19)13-9-6-10-17-15(13)21-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKey DCJQHAMCLBTEFL-UHFFFAOYSA-N
Melting Point 71-72C
Molecular Weight 317.359009
Synonyms ACETIC ACID, MERCAPTO-, ETHYL ESTER, 2-PHENOXYNICOTINATE NICOTINIC ACID, 2-PHENOXYTHIO-, S-/CARBOXYMETHYL/ ESTER, ETHYL ESTER
Technique KBr WAFER