| SpectraBase Compound ID | Ju3QZCKYZXQ |
|---|---|
| InChI | InChI=1S/C19H23NO3/c1-20-9-8-14-11-19(23-3)18(21)12-16(14)17(20)10-13-4-6-15(22-2)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3 |
| InChIKey | DLDZDBDYUZLISX-UHFFFAOYSA-N |
| Mol Weight | 313.4 g/mol |
| Molecular Formula | C19H23NO3 |
| Exact Mass | 313.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 76m4zmrlE7n |
|---|---|
| Name | Coclaurine, N,O4'-dimethyl-, (.+/-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.167793602 u |
| Formula | C19H23NO3 |
| InChI | InChI=1S/C19H23NO3/c1-20-9-8-14-11-19(23-3)18(21)12-16(14)17(20)10-13-4-6-15(22-2)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3 |
| InChIKey | DLDZDBDYUZLISX-UHFFFAOYSA-N |
| Molecular Weight | 313.397 g/mol |
| SMILES | C1(N(CCC2=C1C=C(C(=C2)OC)O)C)CC1=CC=C(C=C1)OC |