![3-{2-[5-(alpha,alpha,alpha-trifluoro-m-tolyl)-2H-tetrazol-2-yl]acetamido}-2-thiophenecarboxylic acid, methyl ester](/api/spectrum/8tVCzyp2wZe/structure.png?h=300&w=458 "3-{2-[5-(alpha,alpha,alpha-trifluoro-m-tolyl)-2H-tetrazol-2-yl]acetamido}-2-thiophenecarboxylic acid, methyl ester")
| SpectraBase Compound ID | KFih3QuuSzM |
|---|---|
| InChI | InChI=1S/C16H12F3N5O3S/c1-27-15(26)13-11(5-6-28-13)20-12(25)8-24-22-14(21-23-24)9-3-2-4-10(7-9)16(17,18)19/h2-7H,8H2,1H3,(H,20,25) |
| InChIKey | HFCYVHHCHVSHBH-UHFFFAOYSA-N |
| Mol Weight | 411.36 g/mol |
| Molecular Formula | C16H12F3N5O3S |
| Exact Mass | 411.061295 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8tVCzyp2wZe |
|---|---|
| Name | 3-{2-[5-(alpha,alpha,alpha-trifluoro-m-tolyl)-2H-tetrazol-2-yl]acetamido}-2-thiophenecarboxylic acid, methyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H12F3N5O3S |
| InChI | InChI=1S/C16H12F3N5O3S/c1-27-15(26)13-11(5-6-28-13)20-12(25)8-24-22-14(21-23-24)9-3-2-4-10(7-9)16(17,18)19/h2-7H,8H2,1H3,(H,20,25) |
| InChIKey | HFCYVHHCHVSHBH-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 61154M |
| Solvent | CDCl3 |