| SpectraBase Compound ID | 2tABOsl13lp |
|---|---|
| InChI | InChI=1S/C16H10F5NO/c17-11-10(12(18)14(20)15(21)13(11)19)16(23)22-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,22,23) |
| InChIKey | IXPZIKOMWNZXEI-UHFFFAOYSA-N |
| Mol Weight | 327.25 g/mol |
| Molecular Formula | C16H10F5NO |
| Exact Mass | 327.068255 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BdSO8PWfONa |
|---|---|
| Name | Tranylcypromine, pentafluorobenzoyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.068254760 u |
| Formula | C16H10F5NO |
| InChI | InChI=1S/C16H10F5NO/c17-11-10(12(18)14(20)15(21)13(11)19)16(23)22-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,22,23) |
| InChIKey | IXPZIKOMWNZXEI-UHFFFAOYSA-N |
| Molecular Weight | 327.254 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)C(NC1C(C2=CC=CC=C2)C1)=O)F)F)F |