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Ethyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-4-decyl-5-carboxylate

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Ethyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-4-decyl-5-carboxylate
SpectraBase Compound ID 9JnYI6GFZSw
InChI InChI=1S/C23H32F3NO3/c1-3-5-6-7-8-9-10-11-12-19-20(27-30-21(19)22(28)29-4-2)17-13-15-18(16-14-17)23(24,25)26/h13-16,19,21H,3-12H2,1-2H3/t19-,21-/m1/s1
InChIKey IAAUCMJJXFCSRY-TZIWHRDSSA-N
Mol Weight 427.5 g/mol
Molecular Formula C23H32F3NO3
Exact Mass 427.233428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EAYhHBLVPez
Name Ethyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-4-decyl-5-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.233428380 u
Formula C23H32F3NO3
InChI InChI=1S/C23H32F3NO3/c1-3-5-6-7-8-9-10-11-12-19-20(27-30-21(19)22(28)29-4-2)17-13-15-18(16-14-17)23(24,25)26/h13-16,19,21H,3-12H2,1-2H3/t19-,21-/m1/s1
InChIKey IAAUCMJJXFCSRY-TZIWHRDSSA-N
Molecular Weight 427.508 g/mol
SMILES [C@@]1(CCCCCCCCCC)([C@](C(=O)OCC)(ON=C1C=1C=CC(C(F)(F)F)=CC1)[H])[H]