| SpectraBase Compound ID | 4T0BXGsrGCB |
|---|---|
| InChI | InChI=1S/C19H22N2O2/c1-19(18(22)23-4)9-14-13-6-5-7-15-17(13)12(10-20(15)2)8-16(14)21(3)11-19/h5-7,9-10,16H,8,11H2,1-4H3 |
| InChIKey | XJXFDLMQWIQUME-UHFFFAOYSA-N |
| Mol Weight | 310.4 g/mol |
| Molecular Formula | C19H22N2O2 |
| Exact Mass | 310.168128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BzpiSiFv409 |
|---|---|
| Name | Lysergic acid di-methyl derivative(isomer 1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.168127954 u |
| Formula | C19H22N2O2 |
| InChI | InChI=1S/C19H22N2O2/c1-19(18(22)23-4)9-14-13-6-5-7-15-17(13)12(10-20(15)2)8-16(14)21(3)11-19/h5-7,9-10,16H,8,11H2,1-4H3 |
| InChIKey | XJXFDLMQWIQUME-UHFFFAOYSA-N |
| Molecular Weight | 310.397 g/mol |
| SMILES | C12=C3C=CC=C2N(C=C1CC1C3=CC(CN1C)(C(=O)OC)C)C |