| SpectraBase Compound ID | E7FEoN6Qp5 |
|---|---|
| InChI | InChI=1S/C18H25FN4O2/c1-11(2)15(17(20)24)21-18(25)16-13-8-4-5-9-14(13)23(22-16)10-6-7-12(3)19/h4-5,8-9,11-12,15H,6-7,10H2,1-3H3,(H2,20,24)(H,21,25) |
| InChIKey | KSBISSAWUAIQIT-UHFFFAOYSA-N |
| Mol Weight | 348.42 g/mol |
| Molecular Formula | C18H25FN4O2 |
| Exact Mass | 348.196154 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JPwhqoKtQuO |
|---|---|
| Name | ab-Pinaca N-(4-fluoropentyl) isomer |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.196154222 u |
| Formula | C18H25FN4O2 |
| InChI | InChI=1S/C18H25FN4O2/c1-11(2)15(17(20)24)21-18(25)16-13-8-4-5-9-14(13)23(22-16)10-6-7-12(3)19/h4-5,8-9,11-12,15H,6-7,10H2,1-3H3,(H2,20,24)(H,21,25) |
| InChIKey | KSBISSAWUAIQIT-UHFFFAOYSA-N |
| Molecular Weight | 348.422 g/mol |
| SMILES | C1(=NN(C=2C=CC=CC12)CCCC(C)F)C(=O)N[C@@](C(=O)N)(C(C)C)[H] |