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5-MeO-2-Me-MiPT HFB

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

5-MeO-2-Me-MiPT HFB
SpectraBase Compound ID 2DBOKki7NG8
InChI InChI=1S/C20H23F7N2O2/c1-11(2)28(4)9-8-14-12(3)29(16-7-6-13(31-5)10-15(14)16)17(30)18(21,22)19(23,24)20(25,26)27/h6-7,10-11H,8-9H2,1-5H3
InChIKey TVTGMTYBGDLSNS-UHFFFAOYSA-N
Mol Weight 456.4 g/mol
Molecular Formula C20H23F7N2O2
Exact Mass 456.164775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I3BwNYoSrHU
Name 5-meo-2-me-Mipt hfb P1594
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.164775128 u
Formula C20H23F7N2O2
InChI InChI=1S/C20H23F7N2O2/c1-11(2)28(4)9-8-14-12(3)29(16-7-6-13(31-5)10-15(14)16)17(30)18(21,22)19(23,24)20(25,26)27/h6-7,10-11H,8-9H2,1-5H3
InChIKey TVTGMTYBGDLSNS-UHFFFAOYSA-N
Molecular Weight 456.405 g/mol
SMILES C=1(C=C2C(=C(N(C2=CC1)C(=O)C(F)(F)C(F)(F)C(F)(F)F)C)CCN(C(C)C)C)OC