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5mt-Nb3Me P1558

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

5mt-Nb3Me P1558
SpectraBase Compound ID 3IswnFxHTHF
InChI InChI=1S/C22H21F5N2O2/c1-14-4-3-5-15(10-14)13-29(20(30)21(23,24)22(25,26)27)9-8-16-12-28-19-7-6-17(31-2)11-18(16)19/h3-7,10-12,28H,8-9,13H2,1-2H3
InChIKey XAXMSOUOIXRKFC-UHFFFAOYSA-N
Mol Weight 440.41 g/mol
Molecular Formula C22H21F5N2O2
Exact Mass 440.152319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JxaCtYwrdLS
Name 5mt-Nb3Me P1558
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.152318737 u
Formula C22H21F5N2O2
InChI InChI=1S/C22H21F5N2O2/c1-14-4-3-5-15(10-14)13-29(20(30)21(23,24)22(25,26)27)9-8-16-12-28-19-7-6-17(31-2)11-18(16)19/h3-7,10-12,28H,8-9,13H2,1-2H3
InChIKey XAXMSOUOIXRKFC-UHFFFAOYSA-N
Molecular Weight 440.414 g/mol
SMILES C=1(C=C2C(NC=C2CCN(C(=O)C(F)(F)C(F)(F)F)CC=2C=CC=C(C2)C)=CC1)OC