| SpectraBase Compound ID | 7lcvs1pL34T |
|---|---|
| InChI | InChI=1S/C18H20F5NO3/c1-2-3-4-5-9-27-18(26)10-7-6-8-24(10)17(25)11-12(19)14(21)16(23)15(22)13(11)20/h10H,2-9H2,1H3 |
| InChIKey | ZCZMJOINEKLJKJ-UHFFFAOYSA-N |
| Mol Weight | 393.35 g/mol |
| Molecular Formula | C18H20F5NO3 |
| Exact Mass | 393.136334 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EXXoXW61tk9 |
|---|---|
| Name | L-Proline, N-(pentafluorobenzoyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.136334320 u |
| Formula | C18H20F5NO3 |
| InChI | InChI=1S/C18H20F5NO3/c1-2-3-4-5-9-27-18(26)10-7-6-8-24(10)17(25)11-12(19)14(21)16(23)15(22)13(11)20/h10H,2-9H2,1H3 |
| InChIKey | ZCZMJOINEKLJKJ-UHFFFAOYSA-N |
| Molecular Weight | 393.354 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)C(N1CCCC1C(OCCCCCC)=O)=O |