| SpectraBase Compound ID | GHw3BS94q34 |
|---|---|
| InChI | InChI=1S/C22H23N3O3/c1-12-20-15(16(11-28-12)22(26)27-2)9-18-21-14(7-8-25(18)19(20)10-23)13-5-3-4-6-17(13)24-21/h3-6,11-12,15,18-20,24H,7-9H2,1-2H3/t12-,15-,18-,19-,20+/m1/s1 |
| InChIKey | RKAOXFKCSWHWPG-DMVOXFHESA-N |
| Mol Weight | 377.44 g/mol |
| Molecular Formula | C22H23N3O3 |
| Exact Mass | 377.173942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1xLGJE5nNf6 |
|---|---|
| Name | (+/-)-21-ALPHA-CYANO-3-ISORAUNITICINE |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H23N3O3 |
| InChI | InChI=1S/C22H23N3O3/c1-12-20-15(16(11-28-12)22(26)27-2)9-18-21-14(7-8-25(18)19(20)10-23)13-5-3-4-6-17(13)24-21/h3-6,11-12,15,18-20,24H,7-9H2,1-2H3/t12-,15-,18-,19-,20+/m1/s1 |
| InChIKey | RKAOXFKCSWHWPG-DMVOXFHESA-N |
| Literature Reference Author | M.LOUNASMAA,P.HANHINEN |
| Literature Reference Citation | HETEROCYCLES,45,1529(1997) |
| Literature Reference DOI | 10.3987/COM-97-7830 |
| Molecular Weight | 377.443 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP8424 |