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5-MeO-2-Me-PYR-T HFB

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

5-MeO-2-Me-PYR-T HFB
SpectraBase Compound ID E42RcPNyAPa
InChI InChI=1S/C20H21F7N2O2/c1-12-14(7-10-28-8-3-4-9-28)15-11-13(31-2)5-6-16(15)29(12)17(30)18(21,22)19(23,24)20(25,26)27/h5-6,11H,3-4,7-10H2,1-2H3
InChIKey AANCREDEJFQLIH-UHFFFAOYSA-N
Mol Weight 454.39 g/mol
Molecular Formula C20H21F7N2O2
Exact Mass 454.149125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I5t8pB43Q26
Name 5-meo-2-me-pyr-T hfb P1589
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.149125063 u
Formula C20H21F7N2O2
InChI InChI=1S/C20H21F7N2O2/c1-12-14(7-10-28-8-3-4-9-28)15-11-13(31-2)5-6-16(15)29(12)17(30)18(21,22)19(23,24)20(25,26)27/h5-6,11H,3-4,7-10H2,1-2H3
InChIKey AANCREDEJFQLIH-UHFFFAOYSA-N
Molecular Weight 454.389 g/mol
SMILES C=1(C=C2C(=C(N(C2=CC1)C(=O)C(F)(F)C(F)(F)C(F)(F)F)C)CCN1CCCC1)OC