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3-hydroxybenzo[b]thiophene-2-carboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate
SpectraBase Compound ID Coe57V4s50V
InChI InChI=1S/C21H13Cl2NO5S/c1-10-15(17(24-29-10)16-12(22)7-5-8-13(16)23)20(25)28-18-11-6-3-4-9-14(11)30-19(18)21(26)27-2/h3-9H,1-2H3
InChIKey IWXOVISRCOKPOD-UHFFFAOYSA-N
Mol Weight 462.3 g/mol
Molecular Formula C21H13Cl2NO5S
Exact Mass 460.989149 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Jzv4qR8ZTBe
Name 3-HYDROXYBENZO[b]THIOPHENE-2-CARBOXYLIC ACID, METHYL ESTER, 3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLATE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number BTB 5267
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13Cl2NO5S
InChI InChI=1S/C21H13Cl2NO5S/c1-10-15(17(24-29-10)16-12(22)7-5-8-13(16)23)20(25)28-18-11-6-3-4-9-14(11)30-19(18)21(26)27-2/h3-9H,1-2H3
InChIKey IWXOVISRCOKPOD-UHFFFAOYSA-N
Melting Point 162-164C
Molecular Weight 462.296997
Synonyms BENZO/B/THIOPHENE-2-CARBOXYLIC ACID, 3-HYDROXY-, 3-/2,6-DICHLORO- PHENYL/-5-METHYL-4-ISOXAZOLECARBOXYL- ATE
Technique KBr FILM (CHCl3)