![N-[4-(4-bromophenyl)-5-methyl-1,2,3-triazol-1-yl]benzamide](/api/spectrum/DR3LEuGjnad/structure.png?h=300&w=458 "N-[4-(4-bromophenyl)-5-methyl-1,2,3-triazol-1-yl]benzamide")
| SpectraBase Compound ID | Gn9JleEdm36 |
|---|---|
| InChI | InChI=1S/C16H13BrN4O/c1-11-15(12-7-9-14(17)10-8-12)18-20-21(11)19-16(22)13-5-3-2-4-6-13/h2-10H,1H3,(H,19,22) |
| InChIKey | LPEQFMIMSJDCRT-UHFFFAOYSA-N |
| Mol Weight | 357.21 g/mol |
| Molecular Formula | C16H13BrN4O |
| Exact Mass | 356.027274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DR3LEuGjnad |
|---|---|
| Name | N-[4-(4-Bromophenyl)-5-methyl-1,2,3-triazol-1-yl]benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.027274054 u |
| Formula | C16H13BrN4O |
| InChI | InChI=1S/C16H13BrN4O/c1-11-15(12-7-9-14(17)10-8-12)18-20-21(11)19-16(22)13-5-3-2-4-6-13/h2-10H,1H3,(H,19,22) |
| InChIKey | LPEQFMIMSJDCRT-UHFFFAOYSA-N |
| Molecular Weight | 357.211 g/mol |
| SMILES | C=1(N(N=NC1C=1C=CC(=CC1)Br)NC(=O)C1=CC=CC=C1)C |