| SpectraBase Compound ID | 5BKmExOnx3H |
|---|---|
| InChI | InChI=1S/C13H14N4O/c18-12(10-6-2-1-3-7-10)11-13(15-16-14-11)17-8-4-5-9-17/h1-3,6-7H,4-5,8-9H2,(H,14,15,16) |
| InChIKey | FYXUODGFYUGIPD-UHFFFAOYSA-N |
| Mol Weight | 242.28 g/mol |
| Molecular Formula | C13H14N4O |
| Exact Mass | 242.116761 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5FLEWooAgU9 |
|---|---|
| Name | 5-Benzoyl-4-pyrrolidino-1,2,3-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.116761086 u |
| Formula | C13H14N4O |
| InChI | InChI=1S/C13H14N4O/c18-12(10-6-2-1-3-7-10)11-13(15-16-14-11)17-8-4-5-9-17/h1-3,6-7H,4-5,8-9H2,(H,14,15,16) |
| InChIKey | FYXUODGFYUGIPD-UHFFFAOYSA-N |
| Molecular Weight | 242.282 g/mol |
| SMILES | C=1(N=NNC1C(C=1C=CC=CC1)=O)N1CCCC1 |