| SpectraBase Compound ID | 1hBdCCybIML |
|---|---|
| InChI | InChI=1S/C20H26NO2.CHF3O3S/c1-15-19(17-12-8-5-9-13-17)21(2,3)18(14-20(15,22)23)16-10-6-4-7-11-16;2-1(3,4)8(5,6)7/h4-13,15,18-19,22-23H,14H2,1-3H3;(H,5,6,7)/q+1;/p-1/t15-,18-,19+;/m1./s1/i22D,23D; |
| InChIKey | UBSXMSWJCSOMQL-KCSGEFSKSA-M |
| Mol Weight | 463.51 g/mol |
| Molecular Formula | C21H242H2F3NO5S |
| Exact Mass | 463.160932 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EC87CUdtWZk |
|---|---|
| Name | UBSXMSWJCSOMQL-KCSGEFSKSA-M |
| Compound Number | 6D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H242H2F3NO5S |
| InChI | InChI=1S/C20H26NO2.CHF3O3S/c1-15-19(17-12-8-5-9-13-17)21(2,3)18(14-20(15,22)23)16-10-6-4-7-11-16;2-1(3,4)8(5,6)7/h4-13,15,18-19,22-23H,14H2,1-3H3;(H,5,6,7)/q+1;/p-1/t15-,18-,19+;/m1./s1/i22D,23D; |
| InChIKey | UBSXMSWJCSOMQL-KCSGEFSKSA-M |
| Literature Reference Author | D.YANG,Y.C.YIP,G.S.JIAO,M.K.WONG |
| Literature Reference Citation | J.ORG.CHEM.,63,8952(1998) |
| Literature Reference DOI | 10.1021/jo981270r |
| Molecular Weight | 463.509 g/mol |
| Sample ID | 26531 |
| Solvent | CD3CN:D2O |