![Oxirane, 3-[5-(4-azidophenoxy)-3-methyl-3-pentenyl]-2,2-dimethyl-, (E)-.+/-.-](/api/spectrum/KGCLDGBjJHS/structure.png?h=300&w=458 "Oxirane, 3-[5-(4-azidophenoxy)-3-methyl-3-pentenyl]-2,2-dimethyl-, (E)-.+/-.-")
| SpectraBase Compound ID | C2ZuMnGC5ol |
|---|---|
| InChI | InChI=1S/C16H21N3O2/c1-12(4-9-15-16(2,3)21-15)10-11-20-14-7-5-13(6-8-14)18-19-17/h5-8,10,15H,4,9,11H2,1-3H3/b12-10+ |
| InChIKey | ISQNKMSRIQNGGJ-ZRDIBKRKSA-N |
| Mol Weight | 287.36 g/mol |
| Molecular Formula | C16H21N3O2 |
| Exact Mass | 287.163377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KGCLDGBjJHS |
|---|---|
| Name | Oxirane, 3-[5-(4-azidophenoxy)-3-methyl-3-pentenyl]-2,2-dimethyl-, (E)-.+/-.- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.163376926 u |
| Formula | C16H21N3O2 |
| InChI | InChI=1S/C16H21N3O2/c1-12(4-9-15-16(2,3)21-15)10-11-20-14-7-5-13(6-8-14)18-19-17/h5-8,10,15H,4,9,11H2,1-3H3/b12-10+ |
| InChIKey | ISQNKMSRIQNGGJ-ZRDIBKRKSA-N |
| SMILES | C1(OC1(C)C)CC\C(=C\COC1=CC=C(C=C1)N=N#N)C |