| SpectraBase Compound ID | LkJYxjFB9I0 |
|---|---|
| InChI | InChI=1S/C20H31N.C3HBrF4O2/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;4-2(5,1(9)10)3(6,7)8/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3;(H,9,10)/t18-,19-,20+;/m0./s1 |
| InChIKey | BVUMANXQTSIZHY-WFBUOHSLSA-N |
| Mol Weight | 510.4 g/mol |
| Molecular Formula | C23H32BrF4NO2 |
| Exact Mass | 509.155255 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lr2rROEapET |
|---|---|
| Name | 2-BROMOTETRAFLUOROPROPANOIC_ACID_DEHYDROABIETYLAMINE_SALT |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H32BrF4NO2 |
| InChI | InChI=1S/C20H31N.C3HBrF4O2/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;4-2(5,1(9)10)3(6,7)8/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3;(H,9,10)/t18-,19-,20+;/m0./s1 |
| InChIKey | BVUMANXQTSIZHY-WFBUOHSLSA-N |
| Literature Reference Author | P.L.COE,M.LOEHR,C.ROCHIN |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2803(1998) |
| Literature Reference DOI | 10.1039/a804097d |
| Solvent | CDCl3 |
| Source File Reference | UWMZ6389 |