| SpectraBase Compound ID | 6ZUJvKlyltW |
|---|---|
| InChI | InChI=1S/C19H29NO2/c1-19(2,3)20-12-16(22-14-20)13-21-18-11-7-6-10-17(18)15-8-4-5-9-15/h6-7,10-11,15-16H,4-5,8-9,12-14H2,1-3H3 |
| InChIKey | DAPWZKQHDPYJPN-UHFFFAOYSA-N |
| Mol Weight | 303.45 g/mol |
| Molecular Formula | C19H29NO2 |
| Exact Mass | 303.219829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LFIkXGwCnbm |
|---|---|
| Name | Penbutolol-A (CH2O,-H2O) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.219829176 u |
| Formula | C19H29NO2 |
| InChI | InChI=1S/C19H29NO2/c1-19(2,3)20-12-16(22-14-20)13-21-18-11-7-6-10-17(18)15-8-4-5-9-15/h6-7,10-11,15-16H,4-5,8-9,12-14H2,1-3H3 |
| InChIKey | DAPWZKQHDPYJPN-UHFFFAOYSA-N |
| SMILES | C=1(C(OCC2CN(C(C)(C)C)CO2)=CC=CC1)C1CCCC1 |