![5-[(2,3-dimethylphenoxy)methyl]-1H-tetraazole](/api/spectrum/1MBsaldtpmF/structure.png?h=300&w=458 "5-[(2,3-dimethylphenoxy)methyl]-1H-tetraazole")
| SpectraBase Compound ID | B9Ueq55Fbxx |
|---|---|
| InChI | InChI=1S/C10H12N4O/c1-7-4-3-5-9(8(7)2)15-6-10-11-13-14-12-10/h3-5H,6H2,1-2H3,(H,11,12,13,14) |
| InChIKey | XTWBMIMBYAIOPP-UHFFFAOYSA-N |
| Mol Weight | 204.23 g/mol |
| Molecular Formula | C10H12N4O |
| Exact Mass | 204.101111 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1MBsaldtpmF |
|---|---|
| Name | 5-[(2,3-Dimethylphenoxy)methyl]-1H-tetraazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.101111021 u |
| Formula | C10H12N4O |
| InChI | InChI=1S/C10H12N4O/c1-7-4-3-5-9(8(7)2)15-6-10-11-13-14-12-10/h3-5H,6H2,1-2H3,(H,11,12,13,14) |
| InChIKey | XTWBMIMBYAIOPP-UHFFFAOYSA-N |
| Molecular Weight | 204.233 g/mol |
| SMILES | N1C(=NN=N1)COC=1C(=C(C)C=CC1)C |