| SpectraBase Compound ID | 4MyFvpoQRdn |
|---|---|
| InChI | InChI=1S/C6H10N4O2/c1-3-12-6(11)4-5-7-9-10(2)8-5/h3-4H2,1-2H3 |
| InChIKey | JTHBWNLNZDXTKP-UHFFFAOYSA-N |
| Mol Weight | 170.17 g/mol |
| Molecular Formula | C6H10N4O2 |
| Exact Mass | 170.080376 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9KH8vMQK24r |
|---|---|
| Name | 1-Methyl-4-ethoxycarbonyl-methyl-1,2,3,5-tetrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.080375576 u |
| Formula | C6H10N4O2 |
| InChI | InChI=1S/C6H10N4O2/c1-3-12-6(11)4-5-7-9-10(2)8-5/h3-4H2,1-2H3 |
| InChIKey | JTHBWNLNZDXTKP-UHFFFAOYSA-N |
| SMILES | CN1N=NC(CC(=O)OCC)=N1 |