| SpectraBase Compound ID | xsl9Nv9Eo6 |
|---|---|
| InChI | InChI=1S/C12H10F7NO/c1-7-2-4-8(5-3-7)6-20-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,6H2,1H3,(H,20,21) |
| InChIKey | AEVRSDTWLLEJFQ-UHFFFAOYSA-N |
| Mol Weight | 317.21 g/mol |
| Molecular Formula | C12H10F7NO |
| Exact Mass | 317.065061 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JrZPZh7XeAU |
|---|---|
| Name | 4-Methylbenzylamine, N-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.065061086 u |
| Formula | C12H10F7NO |
| InChI | InChI=1S/C12H10F7NO/c1-7-2-4-8(5-3-7)6-20-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,6H2,1H3,(H,20,21) |
| InChIKey | AEVRSDTWLLEJFQ-UHFFFAOYSA-N |
| Molecular Weight | 317.207 g/mol |
| SMILES | C1(=CC=C(C=C1)C)CNC(=O)C(C(F)(C(F)(F)F)F)(F)F |