| SpectraBase Compound ID | I9ht3hUDViW |
|---|---|
| InChI | InChI=1S/C14H17F3N2O3/c1-22-12-8-10(2-3-11(12)20)9-18-4-6-19(7-5-18)13(21)14(15,16)17/h2-3,8,20H,4-7,9H2,1H3 |
| InChIKey | DTOHFIKVIZTCRY-UHFFFAOYSA-N |
| Mol Weight | 318.3 g/mol |
| Molecular Formula | C14H17F3N2O3 |
| Exact Mass | 318.119127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Efbj391bYrE |
|---|---|
| Name | Benzylpiperazine-m (ho-meth.-) tfa @P1018 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.119126901 u |
| Formula | C14H17F3N2O3 |
| InChI | InChI=1S/C14H17F3N2O3/c1-22-12-8-10(2-3-11(12)20)9-18-4-6-19(7-5-18)13(21)14(15,16)17/h2-3,8,20H,4-7,9H2,1H3 |
| InChIKey | DTOHFIKVIZTCRY-UHFFFAOYSA-N |
| Molecular Weight | 318.296 g/mol |
| SMILES | C=1(C=C(CN2CCN(CC2)C(=O)C(F)(F)F)C=CC1O)OC |