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1,3-dioxo-alpha-{2-[(6-ethoxy-2-benzothiazolyl)carbamoyl]ethyl}-2-isoindolineacetic acid

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1,3-dioxo-alpha-{2-[(6-ethoxy-2-benzothiazolyl)carbamoyl]ethyl}-2-isoindolineacetic acid
SpectraBase Compound ID BOorNLSh218
InChI InChI=1S/C22H19N3O6S/c1-2-31-12-7-8-15-17(11-12)32-22(23-15)24-18(26)10-9-16(21(29)30)25-19(27)13-5-3-4-6-14(13)20(25)28/h3-8,11,16H,2,9-10H2,1H3,(H,29,30)(H,23,24,26)
InChIKey CXLUJEGQCXDDEF-UHFFFAOYSA-N
Mol Weight 453.47 g/mol
Molecular Formula C22H19N3O6S
Exact Mass 453.099457 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID BlSSeTuaj6q
Name 1,3-DIOXO-alpha-{2-[(6-ETHOXY-2-BENZOTHIAZOLYL)CARBAMOYL]ETHYL}-2-ISOINDOLINEACETIC ACID
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19N3O6S
InChI InChI=1S/C22H19N3O6S/c1-2-31-12-7-8-15-17(11-12)32-22(23-15)24-18(26)10-9-16(21(29)30)25-19(27)13-5-3-4-6-14(13)20(25)28/h3-8,11,16H,2,9-10H2,1H3,(H,29,30)(H,23,24,26)
InChIKey CXLUJEGQCXDDEF-UHFFFAOYSA-N
Melting Point 274-276C
Molecular Weight 453.48
Technique KBr WAFER