| SpectraBase Compound ID | G1I5BpZ2XiA |
|---|---|
| InChI | InChI=1S/C22H24N2O4/c1-25-19-7-13-6-18-17-10-22(28-4)20(26-2)8-14(17)5-16(11-23)24(18)12-15(13)9-21(19)27-3/h7-10,16,18H,5-6,12H2,1-4H3 |
| InChIKey | KTEMPNIPMGFNIC-UHFFFAOYSA-N |
| Mol Weight | 380.44 g/mol |
| Molecular Formula | C22H24N2O4 |
| Exact Mass | 380.173607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C4hdBOtpur2 |
|---|---|
| Name | (+-)-6-cyanoxylopinine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.173607257 u |
| Formula | C22H24N2O4 |
| InChI | InChI=1S/C22H24N2O4/c1-25-19-7-13-6-18-17-10-22(28-4)20(26-2)8-14(17)5-16(11-23)24(18)12-15(13)9-21(19)27-3/h7-10,16,18H,5-6,12H2,1-4H3 |
| InChIKey | KTEMPNIPMGFNIC-UHFFFAOYSA-N |
| Molecular Weight | 380.444 g/mol |
| SMILES | C12N(C(CC=3C2=CC(=C(C3)OC)OC)C#N)CC2=C(C1)C=C(C(=C2)OC)OC |