| SpectraBase Compound ID | 37uAiuoSrql |
|---|---|
| InChI | InChI=1S/C27H36N.ClHO4/c1-22(17-18-26-24(3)14-11-20-27(26,4)5)12-10-13-23(2)19-21-28(6)25-15-8-7-9-16-25;2-1(3,4)5/h7-10,12-13,15-19,21H,11,14,20H2,1-6H3;(H,2,3,4,5)/q+1;/p-1/b13-10+,18-17+,22-12+,23-19-,28-21-; |
| InChIKey | YAOOLGAEOOAEEW-PYRNYKRUSA-M |
| Mol Weight | 474.04 g/mol |
| Molecular Formula | C27H36ClNO4 |
| Exact Mass | 473.233286 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 27bOa19Zcyw |
|---|---|
| Name | YAOOLGAEOOAEEW-PYRNYKRUSA-M |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36ClNO4 |
| InChI | InChI=1S/C27H36N.ClHO4/c1-22(17-18-26-24(3)14-11-20-27(26,4)5)12-10-13-23(2)19-21-28(6)25-15-8-7-9-16-25;2-1(3,4)5/h7-10,12-13,15-19,21H,11,14,20H2,1-6H3;(H,2,3,4,5)/q+1;/p-1/b13-10+,18-17+,22-12+,23-19-,28-21-; |
| InChIKey | YAOOLGAEOOAEEW-PYRNYKRUSA-M |
| Literature Reference Author | G.R.ELIA,R.F.CHILDS,J.F.BRITTEN,D.S.C.YANG,B.D.SANTARSIERO |
| Literature Reference Citation | CAN.J.CHEM.,74,591(1996) |
| Literature Reference DOI | 10.1139/v96-063 |
| Molecular Weight | 474.040 g/mol |
| Solvent | SOLID |
| Source File Reference | UWRK3229 |