![1H-1,2,3,4-Tetrazole-1-propanamide, N-[2-(trifluoromethyl)phenyl]-](/api/spectrum/JUdkf6EkIN/structure.png?h=300&w=458 "1H-1,2,3,4-Tetrazole-1-propanamide, N-[2-(trifluoromethyl)phenyl]-")
| SpectraBase Compound ID | CZHJrgDb4Mh |
|---|---|
| InChI | InChI=1S/C11H10F3N5O/c12-11(13,14)8-3-1-2-4-9(8)16-10(20)5-6-19-7-15-17-18-19/h1-4,7H,5-6H2,(H,16,20) |
| InChIKey | LQUPREBFMVODOU-UHFFFAOYSA-N |
| Mol Weight | 285.23 g/mol |
| Molecular Formula | C11H10F3N5O |
| Exact Mass | 285.083744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JUdkf6EkIN |
|---|---|
| Name | 1H-1,2,3,4-Tetrazole-1-propanamide, N-[2-(trifluoromethyl)phenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.083744450 u |
| Formula | C11H10F3N5O |
| InChI | InChI=1S/C11H10F3N5O/c12-11(13,14)8-3-1-2-4-9(8)16-10(20)5-6-19-7-15-17-18-19/h1-4,7H,5-6H2,(H,16,20) |
| InChIKey | LQUPREBFMVODOU-UHFFFAOYSA-N |
| Molecular Weight | 285.230 g/mol |
| SMILES | C1=CC(=C(C=C1)NC(CCN1C=NN=N1)=O)C(F)(F)F |