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5-nitro-1-(phenylimino)-7-(trifluoromethyl)-2-benzothia(S IV )zole carboxylic acid, ethyl ester
SpectraBase Compound ID 5lyjCSLxqF5
InChI InChI=1S/C17H12F3N3O4S/c1-2-27-16(24)15-21-13-9-11(23(25)26)8-12(17(18,19)20)14(13)28(15)22-10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKey PXLIXBIBUQAIGB-UHFFFAOYSA-N
Mol Weight 411.36 g/mol
Molecular Formula C17H12F3N3O4S
Exact Mass 411.050062 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7bXyfe68R6Z
Name 5-NITRO-1-(PHENYLIMINO)-7-(TRIFLUOROMETHYL)-2-BENZOTHIA(S^I^V)ZOLECARBOXYLIC ACID, ETHYL ESTER
Source of Sample K. Wagner, Bayer AG, Leverkusen, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12F3N3O4S
InChI InChI=1S/C17H12F3N3O4S/c1-2-27-16(24)15-21-13-9-11(23(25)26)8-12(17(18,19)20)14(13)28(15)22-10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKey PXLIXBIBUQAIGB-UHFFFAOYSA-N
Literature Reference Abstract-Chemical Abstracts= 80, 108420(1974)
Melting Point 129-130C
Molecular Weight 411.359985
Synonyms 2-BENZOTHIA/S
Technique KBr WAFER