| SpectraBase Compound ID | 2cWJ5RRUDIa |
|---|---|
| InChI | InChI=1S/C19H13F14NO5/c1-2-38-11(35)10(34-12(36)14(20,21)16(24,25)18(28,29)30)7-8-3-5-9(6-4-8)39-13(37)15(22,23)17(26,27)19(31,32)33/h3-6,10H,2,7H2,1H3,(H,34,36) |
| InChIKey | OPHKNPSRBKLIDA-UHFFFAOYSA-N |
| Mol Weight | 601.29 g/mol |
| Molecular Formula | C19H13F14NO5 |
| Exact Mass | 601.057017 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6sBpNeIcwy0 |
|---|---|
| Name | L-Tyrosine, N,o-bis(heptafluorobutyryl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 601.057016800 u |
| Formula | C19H13F14NO5 |
| InChI | InChI=1S/C19H13F14NO5/c1-2-38-11(35)10(34-12(36)14(20,21)16(24,25)18(28,29)30)7-8-3-5-9(6-4-8)39-13(37)15(22,23)17(26,27)19(31,32)33/h3-6,10H,2,7H2,1H3,(H,34,36) |
| InChIKey | OPHKNPSRBKLIDA-UHFFFAOYSA-N |
| Molecular Weight | 601.293 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)CC(C(=O)OCC)NC(=O)C(C(C(F)(F)F)(F)F)(F)F |