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3C-P N-(3-trifluoromethylbenzyl)

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

3C-P N-(3-trifluoromethylbenzyl)
SpectraBase Compound ID HDV07euKpn4
InChI InChI=1S/C22H28F3NO3/c1-5-9-29-21-19(27-3)12-17(13-20(21)28-4)10-15(2)26-14-16-7-6-8-18(11-16)22(23,24)25/h6-8,11-13,15,26H,5,9-10,14H2,1-4H3
InChIKey IWKZBYUQFYPPLP-UHFFFAOYSA-N
Mol Weight 411.47 g/mol
Molecular Formula C22H28F3NO3
Exact Mass 411.202128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aj8bpl9JI2I
Name 3C-p N-(3-Trifluoromethylbenzyl)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.202128252 u
Formula C22H28F3NO3
InChI InChI=1S/C22H28F3NO3/c1-5-9-29-21-19(27-3)12-17(13-20(21)28-4)10-15(2)26-14-16-7-6-8-18(11-16)22(23,24)25/h6-8,11-13,15,26H,5,9-10,14H2,1-4H3
InChIKey IWKZBYUQFYPPLP-UHFFFAOYSA-N
Molecular Weight 411.465 g/mol
SMILES C1(=C(C=C(C=C1OC)CC(NCC=1C=C(C(F)(F)F)C=CC1)C)OC)OCCC