| SpectraBase Compound ID | 1KeNZa1YEQB |
|---|---|
| InChI | InChI=1S/C16H23NO2/c1-3-17(4-2)13-8-14-19-16(18)12-11-15-9-6-5-7-10-15/h5-7,9-12H,3-4,8,13-14H2,1-2H3/b12-11+ |
| InChIKey | CHLMFHKZCVSJIJ-VAWYXSNFSA-N |
| Mol Weight | 261.36 g/mol |
| Molecular Formula | C16H23NO2 |
| Exact Mass | 261.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FoVijF1bIhO |
|---|---|
| Name | Apothesine in kbr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.172878983 u |
| Formula | C16H23NO2 |
| InChI | InChI=1S/C16H23NO2/c1-3-17(4-2)13-8-14-19-16(18)12-11-15-9-6-5-7-10-15/h5-7,9-12H,3-4,8,13-14H2,1-2H3/b12-11+ |
| InChIKey | CHLMFHKZCVSJIJ-VAWYXSNFSA-N |
| Molecular Weight | 261.365 g/mol |
| SMILES | C1(\C=C\C(OCCCN(CC)CC)=O)=CC=CC=C1 |