SpectraBase Compound ID | 5lyjCSLxqF5 |
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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 |
SpectraBase Spectrum ID | 6pI6qAYSNi6 |
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Name | 5-nitro-1-(phenylimino)-7-(trifluoromethyl)-2-benzothia(S IV )zole carboxylic acid, ethyl ester |
Conditions | Neutral |
Copyright | Copyright © 2008-2024 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 |
Sadtler IR Number | 52182 |
Sadtler UV Number | 27031N |
Solvent | Methanol |