![Ethyl 2-methyl-2-[1-(quinolin-2-yl)-1,2,3,4-tetrazol-5-yl]propanoate](/api/spectrum/4zwwGvm2bpa/structure.png?h=300&w=458 "Ethyl 2-methyl-2-[1-(quinolin-2-yl)-1,2,3,4-tetrazol-5-yl]propanoate")
| SpectraBase Compound ID | HVP3xfxNZaE |
|---|---|
| InChI | InChI=1S/C16H17N5O2/c1-4-23-15(22)16(2,3)14-18-19-20-21(14)13-10-9-11-7-5-6-8-12(11)17-13/h5-10H,4H2,1-3H3 |
| InChIKey | XHPXIYRJJKHFNV-UHFFFAOYSA-N |
| Mol Weight | 311.35 g/mol |
| Molecular Formula | C16H17N5O2 |
| Exact Mass | 311.138225 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4zwwGvm2bpa |
|---|---|
| Name | Ethyl 2-methyl-2-[1-(quinolin-2-yl)-1,2,3,4-tetrazol-5-yl]propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.138224805 u |
| Formula | C16H17N5O2 |
| InChI | InChI=1S/C16H17N5O2/c1-4-23-15(22)16(2,3)14-18-19-20-21(14)13-10-9-11-7-5-6-8-12(11)17-13/h5-10H,4H2,1-3H3 |
| InChIKey | XHPXIYRJJKHFNV-UHFFFAOYSA-N |
| SMILES | C=1(N(N=NN1)C1=NC2=CC=CC=C2C=C1)C(C(=O)OCC)(C)C |