| SpectraBase Compound ID | 8azHHIS19PF |
|---|---|
| InChI | InChI=1S/C12H18F5NO3/c1-8(2)4-3-7-21-9(19)5-6-18-10(20)11(13,14)12(15,16)17/h8H,3-7H2,1-2H3,(H,18,20) |
| InChIKey | QGWMGCPJHYKYJS-UHFFFAOYSA-N |
| Mol Weight | 319.27 g/mol |
| Molecular Formula | C12H18F5NO3 |
| Exact Mass | 319.120684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | COWXcrG8gJk |
|---|---|
| Name | .beta.-Alanine, N-pentafluoropropionyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.120684256 u |
| Formula | C12H18F5NO3 |
| InChI | InChI=1S/C12H18F5NO3/c1-8(2)4-3-7-21-9(19)5-6-18-10(20)11(13,14)12(15,16)17/h8H,3-7H2,1-2H3,(H,18,20) |
| InChIKey | QGWMGCPJHYKYJS-UHFFFAOYSA-N |
| Molecular Weight | 319.272 g/mol |
| SMILES | CC(C)CCCOC(CCNC(C(C(F)(F)F)(F)F)=O)=O |