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5-meo-2-me-2-Malet tfa P1365

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-meo-2-me-2-Malet tfa P1365
SpectraBase Compound ID KTKWfyQRjYL
InChI InChI=1S/C20H25F3N2O2/c1-6-24(12-13(2)3)10-9-16-14(4)25(19(26)20(21,22)23)18-8-7-15(27-5)11-17(16)18/h7-8,11H,2,6,9-10,12H2,1,3-5H3
InChIKey SQHZGEBTNWVYBN-UHFFFAOYSA-N
Mol Weight 382.43 g/mol
Molecular Formula C20H25F3N2O2
Exact Mass 382.186813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C2h91TeDCbh
Name 5-meo-2-me-2-Malet tfa P1365
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.186812540 u
Formula C20H25F3N2O2
InChI InChI=1S/C20H25F3N2O2/c1-6-24(12-13(2)3)10-9-16-14(4)25(19(26)20(21,22)23)18-8-7-15(27-5)11-17(16)18/h7-8,11H,2,6,9-10,12H2,1,3-5H3
InChIKey SQHZGEBTNWVYBN-UHFFFAOYSA-N
Molecular Weight 382.427 g/mol
SMILES C1(=CC=C2N(C(=C(C2=C1)CCN(CC(=C)C)CC)C)C(=O)C(F)(F)F)OC