| SpectraBase Compound ID | HssQHth2eB2 |
|---|---|
| InChI | InChI=1S/C18H19NO4/c1-23-18-9-13-6-7-19(11-20)16(15(13)10-17(18)22)8-12-2-4-14(21)5-3-12/h2-5,9-11,16,21-22H,6-8H2,1H3 |
| InChIKey | QFZUPJDTHYGCHH-UHFFFAOYSA-N |
| Mol Weight | 313.35 g/mol |
| Molecular Formula | C18H19NO4 |
| Exact Mass | 313.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ErNojbNckFX |
|---|---|
| Name | N-Formylcoclaurine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.131408092 u |
| Formula | C18H19NO4 |
| InChI | InChI=1S/C18H19NO4/c1-23-18-9-13-6-7-19(11-20)16(15(13)10-17(18)22)8-12-2-4-14(21)5-3-12/h2-5,9-11,16,21-22H,6-8H2,1H3 |
| InChIKey | QFZUPJDTHYGCHH-UHFFFAOYSA-N |
| Molecular Weight | 313.353 g/mol |
| SMILES | COC1=CC=2CCN(C=O)C(C2C=C1O)CC1=CC=C(O)C=C1 |