| SpectraBase Compound ID | JNHcjdOLaWZ |
|---|---|
| InChI | InChI=1S/C23H29NO2/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-19(2)24-14-16-26-17-15-24/h4-13,19H,3,14-18H2,1-2H3 |
| InChIKey | LOXCOAXRHYDLOW-UHFFFAOYSA-N |
| Mol Weight | 351.49 g/mol |
| Molecular Formula | C23H29NO2 |
| Exact Mass | 351.219829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KYMjphfzUYZ |
|---|---|
| Name | Phenadoxone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.219829176 u |
| Formula | C23H29NO2 |
| InChI | InChI=1S/C23H29NO2/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-19(2)24-14-16-26-17-15-24/h4-13,19H,3,14-18H2,1-2H3 |
| InChIKey | LOXCOAXRHYDLOW-UHFFFAOYSA-N |
| Molecular Weight | 351.490 g/mol |
| SMILES | C(C(C(CC)=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)N1CCOCC1 |