| SpectraBase Compound ID | 6alZnTkMXVR |
|---|---|
| InChI | InChI=1S/C14H14F5NO3/c1-22-10-5-8-3-4-20(7-9(8)6-11(10)23-2)12(21)13(15,16)14(17,18)19/h5-6H,3-4,7H2,1-2H3 |
| InChIKey | PJERNBJWJJXAAZ-UHFFFAOYSA-N |
| Mol Weight | 339.26 g/mol |
| Molecular Formula | C14H14F5NO3 |
| Exact Mass | 339.089384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Is0eaxk8ej4 |
|---|---|
| Name | 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline, pfp |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.089384127 u |
| Formula | C14H14F5NO3 |
| InChI | InChI=1S/C14H14F5NO3/c1-22-10-5-8-3-4-20(7-9(8)6-11(10)23-2)12(21)13(15,16)14(17,18)19/h5-6H,3-4,7H2,1-2H3 |
| InChIKey | PJERNBJWJJXAAZ-UHFFFAOYSA-N |
| Molecular Weight | 339.262 g/mol |
| SMILES | COC1=CC2=C(C=C1OC)CN(C(=O)C(F)(C(F)(F)F)F)CC2 |