| SpectraBase Compound ID | Ex1Igo1bax |
|---|---|
| InChI | InChI=1S/C17H19NO2/c1-4-18(15-10-8-13(2)9-11-15)16-6-5-7-17(12-16)20-14(3)19/h5-12H,4H2,1-3H3 |
| InChIKey | VZJTXFOXFYFVFS-UHFFFAOYSA-N |
| Mol Weight | 269.34 g/mol |
| Molecular Formula | C17H19NO2 |
| Exact Mass | 269.141579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8AVe3lKrBYF |
|---|---|
| Name | Phentolamine-A (N-desalkyl) et,ac |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.141578854 u |
| Formula | C17H19NO2 |
| InChI | InChI=1S/C17H19NO2/c1-4-18(15-10-8-13(2)9-11-15)16-6-5-7-17(12-16)20-14(3)19/h5-12H,4H2,1-3H3 |
| InChIKey | VZJTXFOXFYFVFS-UHFFFAOYSA-N |
| SMILES | C=1(N(C=2C=CC(=CC2)C)CC)C=C(C=CC1)OC(=O)C |