| SpectraBase Compound ID | 667VgCUJQKS |
|---|---|
| InChI | InChI=1S/C14H16N2O2/c1-10-5-4-6-11(13(10)14(17)18-3)7-12-8-16(2)9-15-12/h4-6,8-9H,7H2,1-3H3 |
| InChIKey | NJKUGKQWFJUJBL-UHFFFAOYSA-N |
| Mol Weight | 244.29 g/mol |
| Molecular Formula | C14H16N2O2 |
| Exact Mass | 244.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4h57tEphNXa |
|---|---|
| Name | Detomidine-cooh dimethyl derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.121177761 u |
| Formula | C14H16N2O2 |
| InChI | InChI=1S/C14H16N2O2/c1-10-5-4-6-11(13(10)14(17)18-3)7-12-8-16(2)9-15-12/h4-6,8-9H,7H2,1-3H3 |
| InChIKey | NJKUGKQWFJUJBL-UHFFFAOYSA-N |
| Molecular Weight | 244.294 g/mol |
| SMILES | C1=CC=C(C(=C1C)C(=O)OC)CC1=CN(C)C=N1 |