![1H-tetrazol-5-amine, N-[(2,4-dichlorophenyl)methyl]-1-methyl-](/api/spectrum/3gKxOYFh8BY/structure.png?h=300&w=458 "1H-tetrazol-5-amine, N-[(2,4-dichlorophenyl)methyl]-1-methyl-")
| SpectraBase Compound ID | 3aTUFlR06R3 |
|---|---|
| InChI | InChI=1S/C9H9Cl2N5/c1-16-9(13-14-15-16)12-5-6-2-3-7(10)4-8(6)11/h2-4H,5H2,1H3,(H,12,13,15) |
| InChIKey | DRRPMVVUINBSBD-UHFFFAOYSA-N |
| Mol Weight | 258.11 g/mol |
| Molecular Formula | C9H9Cl2N5 |
| Exact Mass | 257.023501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3gKxOYFh8BY |
|---|---|
| Name | 1H-Tetrazol-5-amine, N-[(2,4-dichlorophenyl)methyl]-1-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.023500710 u |
| Formula | C9H9Cl2N5 |
| InChI | InChI=1S/C9H9Cl2N5/c1-16-9(13-14-15-16)12-5-6-2-3-7(10)4-8(6)11/h2-4H,5H2,1H3,(H,12,13,15) |
| InChIKey | DRRPMVVUINBSBD-UHFFFAOYSA-N |
| SMILES | C=1(N(N=NN1)C)NCC1=C(C=C(C=C1)Cl)Cl |