![(1R,2R)-2-[METHYL-[1-(TRIFLUOROMETHYL)-3-BUTENYL]-AMINO]-1-PHENYL-1-PROPANOL;MAJOR-DIASTEREOMER](/api/spectrum/4X7sGvk9aLZ/structure.png?h=300&w=458 "(1R,2R)-2-[METHYL-[1-(TRIFLUOROMETHYL)-3-BUTENYL]-AMINO]-1-PHENYL-1-PROPANOL;MAJOR-DIASTEREOMER")
| SpectraBase Compound ID | B2ux6JGcEU7 |
|---|---|
| InChI | InChI=1S/2C14H18F3NO/c2*1-3-7-12(14(15,16)17)18-10(2)13(19)11-8-5-4-6-9-11/h2*3-6,8-10,12-13,18-19H,1,7H2,2H3/t2*10-,12?,13-/m00/s1 |
| InChIKey | LXFYRAPXVNPWPB-CDWMDJRDSA-N |
| Mol Weight | 546.6 g/mol |
| Molecular Formula | C28H36F6N2O2 |
| Exact Mass | 546.268097 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4X7sGvk9aLZ |
|---|---|
| Name | (1R,2R)-2-[METHYL-[1-(TRIFLUOROMETHYL)-3-BUTENYL]-AMINO]-1-PHENYL-1-PROPANOL;MAJOR-DIASTEREOMER |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36F6N2O2 |
| InChI | InChI=1S/2C14H18F3NO/c2*1-3-7-12(14(15,16)17)18-10(2)13(19)11-8-5-4-6-9-11/h2*3-6,8-10,12-13,18-19H,1,7H2,2H3/t2*10-,12?,13-/m00/s1 |
| InChIKey | LXFYRAPXVNPWPB-CDWMDJRDSA-N |
| Literature Reference Author | T.BILLARD,B.R.LANGLOIS |
| Literature Reference Citation | J.ORG.CHEM.,67,997(2002) |
| Literature Reference DOI | 10.1021/jo016265t |
| Molecular Weight | 546.596 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU24902 |