| SpectraBase Compound ID | IypAjeIAq4o |
|---|---|
| InChI | InChI=1S/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3 |
| InChIKey | VHRSWCTVFBWHKE-UHFFFAOYSA-N |
| Mol Weight | 301.34 g/mol |
| Molecular Formula | C17H19NO4 |
| Exact Mass | 301.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KwnucfbZyJD |
|---|---|
| Name | dl-Laudanosoline hydrobromide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.131408092 u |
| Formula | C17H19NO4 |
| InChI | InChI=1S/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3 |
| InChIKey | VHRSWCTVFBWHKE-UHFFFAOYSA-N |
| Molecular Weight | 301.342 g/mol |
| SMILES | C12=C(C(N(CC2)C)CC2=CC(=C(C=C2)O)O)C=C(C(=C1)O)O |