| SpectraBase Compound ID | F44BZ80oFCT |
|---|---|
| InChI | InChI=1S/C17H21NO5/c1-18-11-6-7-13(18)15(17(21)22-2)14(9-11)23-16(20)10-4-3-5-12(19)8-10/h3-5,8,11,13-15,19H,6-7,9H2,1-2H3/t11-,13+,14-,15+/m0/s1 |
| InChIKey | IQXBUEUAOWARGT-PMOUVXMZSA-N |
| Mol Weight | 319.36 g/mol |
| Molecular Formula | C17H21NO5 |
| Exact Mass | 319.141973 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Jw6mGRnmB9j |
|---|---|
| Name | m-Hydroxycocaine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.141972775 u |
| Formula | C17H21NO5 |
| InChI | InChI=1S/C17H21NO5/c1-18-11-6-7-13(18)15(17(21)22-2)14(9-11)23-16(20)10-4-3-5-12(19)8-10/h3-5,8,11,13-15,19H,6-7,9H2,1-2H3/t11-,13+,14-,15+/m0/s1 |
| InChIKey | IQXBUEUAOWARGT-PMOUVXMZSA-N |
| Molecular Weight | 319.357 g/mol |
| SMILES | C1C[C@@]2([C@@](C(=O)OC)([C@](C[C@]1(N2C)[H])(OC(=O)C1=CC=CC(=C1)O)[H])[H])[H] |