| SpectraBase Compound ID | 7dQ9JVUBOiP |
|---|---|
| InChI | InChI=1S/C21H27N3O/c1-4-23(5-2)14-15-24-20-9-7-6-8-19(20)22-21(24)16-17-10-12-18(25-3)13-11-17/h6-13H,4-5,14-16H2,1-3H3 |
| InChIKey | SFNKTTXBZXVGOH-UHFFFAOYSA-N |
| Mol Weight | 337.47 g/mol |
| Molecular Formula | C21H27N3O |
| Exact Mass | 337.215413 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2UZIfERd0s3 |
|---|---|
| Name | Metodesnitazene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.215412500 u |
| Formula | C21H27N3O |
| InChI | InChI=1S/C21H27N3O/c1-4-23(5-2)14-15-24-20-9-7-6-8-19(20)22-21(24)16-17-10-12-18(25-3)13-11-17/h6-13H,4-5,14-16H2,1-3H3 |
| InChIKey | SFNKTTXBZXVGOH-UHFFFAOYSA-N |
| Molecular Weight | 337.467 g/mol |
| SMILES | C=12N(C(=NC2=CC=CC1)CC1=CC=C(C=C1)OC)CCN(CC)CC |