| SpectraBase Compound ID | 1pyVfCYAN9f |
|---|---|
| InChI | InChI=1S/C16H11F6N/c17-15(18,19)13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)16(20,21)22/h1-9H,10H2/b23-9+ |
| InChIKey | ZQHUZWLWETYCDW-NUGSKGIGSA-N |
| Mol Weight | 331.26 g/mol |
| Molecular Formula | C16H11F6N |
| Exact Mass | 331.079568 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DjV91377N43 |
|---|---|
| Name | N-(4-Trifluoromethylbenzylidene)-4-trifluoromethylbenzylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.079568336 u |
| Formula | C16H11F6N |
| InChI | InChI=1S/C16H11F6N/c17-15(18,19)13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)16(20,21)22/h1-9H,10H2/b23-9+ |
| InChIKey | ZQHUZWLWETYCDW-NUGSKGIGSA-N |
| Molecular Weight | 331.261 g/mol |
| SMILES | C(C=1C=CC(\C=N\CC=2C=CC(C(F)(F)F)=CC2)=CC1)(F)(F)F |