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(3aR,6S)-6-[4-(trifluoromethyl)phenyl]-3,3a,4,6-tetrahydrocyclopenta[c]isoxazole-5,5-dicarboxylic acid diethyl ester
SpectraBase Compound ID JbXfWezbWEa
InChI InChI=1S/C19H20F3NO5/c1-3-26-16(24)18(17(25)27-4-2)9-12-10-28-23-15(12)14(18)11-5-7-13(8-6-11)19(20,21)22/h5-8,12,14H,3-4,9-10H2,1-2H3/t12-,14+/m0/s1
InChIKey YOOXHFZZXUCKDB-GXTWGEPZSA-N
Mol Weight 399.37 g/mol
Molecular Formula C19H20F3NO5
Exact Mass 399.129357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VQPw9nkqAh
Name (3aR,6S)-6-[4-(trifluoromethyl)phenyl]-3,3a,4,6-tetrahydrocyclopenta[c]isoxazole-5,5-dicarboxylic acid diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20F3NO5
InChI InChI=1S/C19H20F3NO5/c1-3-26-16(24)18(17(25)27-4-2)9-12-10-28-23-15(12)14(18)11-5-7-13(8-6-11)19(20,21)22/h5-8,12,14H,3-4,9-10H2,1-2H3/t12-,14+/m0/s1
InChIKey YOOXHFZZXUCKDB-GXTWGEPZSA-N
Molecular Weight 399.366 g/mol
SMILES C1([C@@](C2=NOC[C@@]2(C1)[H])(c1ccc(C(F)(F)F)cc1)[H])(C(=O)OCC)C(=O)OCC
SPLASH splash10-004i-0119000000-185642d4f3844d93f0fd
Source of Spectrum KC-0-1217-8
Synonyms (3aR,6S)-6-[4-(trifluoromethyl)phenyl]-3,3a,4,6-tetrahydrocyclopent[c]isoxazole-5,5-dicarboxylic acid diethyl ester Diethyl (3aR,6S)-6-[4-(trifluoromethyl)phenyl]-3,3a,4,6-tetrahydrocyclopenta[c]isoxazole-5,5-dicarboxylate Diethyl (3aR,6S)-6-[4-(trifluoromethyl)phenyl]-3,3a,4,6-tetrahydrocyclopenta[c][1,2]oxazole-5,5-dicarboxylate
Wiley ID 827836