| SpectraBase Compound ID | IcgiStlmksI |
|---|---|
| InChI | InChI=1S/C18H21N3O/c1-14-6-8-15(9-7-14)21(13-18-19-10-11-20-18)16-4-3-5-17(12-16)22-2/h3-9,12H,10-11,13H2,1-2H3,(H,19,20) |
| InChIKey | JURRMDIVFHLNBX-UHFFFAOYSA-N |
| Mol Weight | 295.39 g/mol |
| Molecular Formula | C18H21N3O |
| Exact Mass | 295.168462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9HSRaQSlyuW |
|---|---|
| Name | Phentolamine me P880 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.168462307 u |
| Formula | C18H21N3O |
| InChI | InChI=1S/C18H21N3O/c1-14-6-8-15(9-7-14)21(13-18-19-10-11-20-18)16-4-3-5-17(12-16)22-2/h3-9,12H,10-11,13H2,1-2H3,(H,19,20) |
| InChIKey | JURRMDIVFHLNBX-UHFFFAOYSA-N |
| SMILES | COC=1C=C(N(CC2=NCCN2)C2=CC=C(C=C2)C)C=CC1 |