| SpectraBase Compound ID | JiCgAPa78L6 |
|---|---|
| InChI | InChI=1S/C13H15N3O2/c1-2-18-13(17)9-8-11-10-16(15-14-11)12-6-4-3-5-7-12/h3-7,10H,2,8-9H2,1H3 |
| InChIKey | LQTZYIAXHFPIIF-UHFFFAOYSA-N |
| Mol Weight | 245.28 g/mol |
| Molecular Formula | C13H15N3O2 |
| Exact Mass | 245.116427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AScvpxcvY6s |
|---|---|
| Name | 1-Phenyl-4-(2-carbethoxyethyl)-1,2,3-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.116426733 u |
| Formula | C13H15N3O2 |
| InChI | InChI=1S/C13H15N3O2/c1-2-18-13(17)9-8-11-10-16(15-14-11)12-6-4-3-5-7-12/h3-7,10H,2,8-9H2,1H3 |
| InChIKey | LQTZYIAXHFPIIF-UHFFFAOYSA-N |
| Molecular Weight | 245.282 g/mol |
| SMILES | C=1N(N=NC1CCC(=O)OCC)C=1C=CC=CC1 |