| SpectraBase Compound ID | IpGgNmnDaHb |
|---|---|
| InChI | InChI=1S/C12H8F7NO3/c1-23-8(21)6-3-2-4-7(5-6)20-9(22)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3,(H,20,22) |
| InChIKey | NOWAMQPJXNBYAL-UHFFFAOYSA-N |
| Mol Weight | 347.19 g/mol |
| Molecular Formula | C12H8F7NO3 |
| Exact Mass | 347.03924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5hV1q0Dk6Qb |
|---|---|
| Name | Methyl 3-(N-heptafluorobutyrylamino)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.039240260 u |
| Formula | C12H8F7NO3 |
| InChI | InChI=1S/C12H8F7NO3/c1-23-8(21)6-3-2-4-7(5-6)20-9(22)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3,(H,20,22) |
| InChIKey | NOWAMQPJXNBYAL-UHFFFAOYSA-N |
| Molecular Weight | 347.189 g/mol |
| SMILES | C1(=CC(=CC=C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(OC)=O |