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(phenylmethyl) 4-[3,4-bis(fluoranyl)phenyl]-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

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(phenylmethyl) 4-[3,4-bis(fluoranyl)phenyl]-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate
SpectraBase Compound ID 8NQNRufek5S
InChI InChI=1S/C26H25F2NO3/c1-15-22(25(31)32-14-16-7-5-4-6-8-16)23(17-9-10-18(27)19(28)11-17)24-20(29-15)12-26(2,3)13-21(24)30/h4-11,23,29H,12-14H2,1-3H3
InChIKey HVUWVUHNSBZCNF-UHFFFAOYSA-N
Mol Weight 437.49 g/mol
Molecular Formula C26H25F2NO3
Exact Mass 437.18025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7BsKJuDn3Y
Name Benzyl 4-(3,4-difluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.180249992 u
Formula C26H25F2NO3
InChI InChI=1S/C26H25F2NO3/c1-15-22(25(31)32-14-16-7-5-4-6-8-16)23(17-9-10-18(27)19(28)11-17)24-20(29-15)12-26(2,3)13-21(24)30/h4-11,23,29H,12-14H2,1-3H3
InChIKey HVUWVUHNSBZCNF-UHFFFAOYSA-N
Molecular Weight 437.487 g/mol
SMILES C=1(C(C=2C(CC(CC2NC1C)(C)C)=O)C1=CC(F)=C(C=C1)F)C(OCC1=CC=CC=C1)=O