| SpectraBase Compound ID | 97J6gQDA2C6 |
|---|---|
| InChI | InChI=1S/C19H21NO4/c1-20-7-6-11-4-5-15(22-2)19-18(11)13(20)8-12-9-17(23-3)14(21)10-16(12)24-19/h4-5,9-10,13,21H,6-8H2,1-3H3/t13-/m0/s1 |
| InChIKey | UNYBTSUYBZKMFF-ZDUSSCGKSA-N |
| Mol Weight | 327.38 g/mol |
| Molecular Formula | C19H21NO4 |
| Exact Mass | 327.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EK6rUSGebBS |
|---|---|
| Name | Celtine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.147058156 u |
| Formula | C19H21NO4 |
| InChI | InChI=1S/C19H21NO4/c1-20-7-6-11-4-5-15(22-2)19-18(11)13(20)8-12-9-17(23-3)14(21)10-16(12)24-19/h4-5,9-10,13,21H,6-8H2,1-3H3/t13-/m0/s1 |
| InChIKey | UNYBTSUYBZKMFF-ZDUSSCGKSA-N |
| Molecular Weight | 327.380 g/mol |
| SMILES | C12=C3[C@@](N(C)CCC3=CC=C1OC)(CC1=C(O2)C=C(C(OC)=C1)O)[H] |