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(3aR,6R)-6-[4-(trifluoromethoxy)phenyl]-3,3a,4,6-tetrahydrocyclopenta[c]isoxazole-5,5-dicarboxylic acid diethyl ester
SpectraBase Compound ID A5zPGQTW6kQ
InChI InChI=1S/C19H20F3NO6/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)29-19(20,21)22/h5-8,12,14H,3-4,9-10H2,1-2H3/t12-,14-/m0/s1
InChIKey VIZUVRWZYGZLIJ-JSGCOSHPSA-N
Mol Weight 415.37 g/mol
Molecular Formula C19H20F3NO6
Exact Mass 415.124272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0YvaMCxp9R
Name (3aR,6R)-6-[4-(trifluoromethoxy)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 C19H20F3NO6
InChI InChI=1S/C19H20F3NO6/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)29-19(20,21)22/h5-8,12,14H,3-4,9-10H2,1-2H3/t12-,14-/m0/s1
InChIKey VIZUVRWZYGZLIJ-JSGCOSHPSA-N
Molecular Weight 415.365 g/mol
SMILES C1([C@](C2=NOC[C@@]2(C1)[H])(c1ccc(OC(F)(F)F)cc1)[H])(C(=O)OCC)C(=O)OCC
SPLASH splash10-00kf-0029300000-be36c7321bdfe9433ef9
Source of Spectrum F-54-14007-5
Synonyms (3aR,6R)-6-[4-(trifluoromethoxy)phenyl]-3,3a,4,6-tetrahydrocyclopent[c]isoxazole-5,5-dicarboxylic acid diethyl ester Diethyl (3aR,6R)-6-[4-(trifluoromethoxy)phenyl]-3,3a,4,6-tetrahydrocyclopenta[c]isoxazole-5,5-dicarboxylate Diethyl (3aR,6R)-6-[4-(trifluoromethoxy)phenyl]-3,3a,4,6-tetrahydrocyclopenta[c][1,2]oxazole-5,5-dicarboxylate Diethyl (3aR,6R)-6-[4-(trifluoromethyloxy)phenyl]-3,3a,4,6-tetrahydrocyclopenta[c][1,2]oxazole-5,5-dicarboxylate
Wiley ID 809753