| SpectraBase Compound ID | EQ4Cd46QvmX |
|---|---|
| InChI | InChI=1S/C20H25NO4/c1-12-7-19(24-3)17(22)9-14(12)8-16-15-11-18(23)20(25-4)10-13(15)5-6-21(16)2/h7,9-11,16,22-23H,5-6,8H2,1-4H3 |
| InChIKey | QUVFGCHAKYSDCC-UHFFFAOYSA-N |
| Mol Weight | 343.42 g/mol |
| Molecular Formula | C20H25NO4 |
| Exact Mass | 343.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ApsHp4pMzRH |
|---|---|
| Name | Reticuline, 6'-methyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.178358285 u |
| Formula | C20H25NO4 |
| InChI | InChI=1S/C20H25NO4/c1-12-7-19(24-3)17(22)9-14(12)8-16-15-11-18(23)20(25-4)10-13(15)5-6-21(16)2/h7,9-11,16,22-23H,5-6,8H2,1-4H3 |
| InChIKey | QUVFGCHAKYSDCC-UHFFFAOYSA-N |
| Molecular Weight | 343.423 g/mol |
| SMILES | COC1=CC2=C(C(N(CC2)C)CC=2C(C)=CC(OC)=C(C2)O)C=C1O |