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jwh-363
SpectraBase Compound ID K6Oo2g51C9r
InChI InChI=1S/C27H24F3NO/c1-2-3-6-15-31-18-21(17-25(31)20-11-7-12-22(16-20)27(28,29)30)26(32)24-14-8-10-19-9-4-5-13-23(19)24/h4-5,7-14,16-18H,2-3,6,15H2,1H3
InChIKey GETLFVZYXNFVJS-UHFFFAOYSA-N
Mol Weight 435.49 g/mol
Molecular Formula C27H24F3NO
Exact Mass 435.180999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1eH08eNfvkc
Name jwh-363
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.180998885 u
Formula C27H24F3NO
InChI InChI=1S/C27H24F3NO/c1-2-3-6-15-31-18-21(17-25(31)20-11-7-12-22(16-20)27(28,29)30)26(32)24-14-8-10-19-9-4-5-13-23(19)24/h4-5,7-14,16-18H,2-3,6,15H2,1H3
InChIKey GETLFVZYXNFVJS-UHFFFAOYSA-N
Molecular Weight 435.490 g/mol
SMILES C(F)(F)(F)C=1C=C(C=CC1)C1=CC(=CN1CCCCC)C(C=1C=CC=C2C=CC=CC12)=O