| SpectraBase Compound ID | ByEJcpXQODO |
|---|---|
| InChI | InChI=1S/C14H18N4O/c1-3-9-18-10-15-17-13(18)11(2)16-14(19)12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,16,19) |
| InChIKey | JDZYSTYBXNWZJQ-UHFFFAOYSA-N |
| Mol Weight | 258.32 g/mol |
| Molecular Formula | C14H18N4O |
| Exact Mass | 258.148061 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LTjDCNCjOYq |
|---|---|
| Name | 1,2,4-(4H)-Triazole, 3-(1-benzoylamino)ethyl-4-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.148061215 u |
| Formula | C14H18N4O |
| InChI | InChI=1S/C14H18N4O/c1-3-9-18-10-15-17-13(18)11(2)16-14(19)12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,16,19) |
| InChIKey | JDZYSTYBXNWZJQ-UHFFFAOYSA-N |
| Molecular Weight | 258.325 g/mol |
| SMILES | C=1(N(C=NN1)CCC)C(NC(C1=CC=CC=C1)=O)C |