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Ethyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-5-decyl-4-carboxylate
SpectraBase Compound ID 7ioboRfFU6i
InChI InChI=1S/C23H32F3NO3/c1-3-5-6-7-8-9-10-11-12-19-20(22(28)29-4-2)21(27-30-19)17-13-15-18(16-14-17)23(24,25)26/h13-16,19-20H,3-12H2,1-2H3/t19-,20-/m0/s1
InChIKey MOBJOOQHFHIICB-PMACEKPBSA-N
Mol Weight 427.5 g/mol
Molecular Formula C23H32F3NO3
Exact Mass 427.233428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XNO7dO3xhd
Name Ethyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-5-decyl-4-carboxylate
Alternate Name(s) (4R,5S)-ethyl 5-decyl-3-(4-(trifluoromethyl)phenyl)-4,5-dihydroisoxazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32F3NO3
InChI InChI=1S/C23H32F3NO3/c1-3-5-6-7-8-9-10-11-12-19-20(22(28)29-4-2)21(27-30-19)17-13-15-18(16-14-17)23(24,25)26/h13-16,19-20H,3-12H2,1-2H3/t19-,20-/m0/s1
InChIKey MOBJOOQHFHIICB-PMACEKPBSA-N
Literature Reference DOI 10.1039/c4ra15975f
Molecular Weight 427.508 g/mol
SMILES [C@@]1(C(OCC)=O)([C@](CCCCCCCCCC)(ON=C1c1ccc(C(F)(F)F)cc1)[H])[H]
SPLASH splash10-000i-0191100000-916d5db719ec6b6a93ec
Source of Spectrum RSA-5-13120-5e
Wiley ID 1760232