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5-Benzoyl-6-hydroxy-4-pyrrolidin-1-yl-6-trifluoromethyl-cyclohexa-1,3-dienecarboxylic acid, ethyl ester
SpectraBase Compound ID LMTsrjHZL9w
InChI InChI=1S/C21H22F3NO4/c1-2-29-19(27)15-10-11-16(25-12-6-7-13-25)17(20(15,28)21(22,23)24)18(26)14-8-4-3-5-9-14/h3-5,8-11,17,28H,2,6-7,12-13H2,1H3
InChIKey ORKIPRZQHBNAIJ-UHFFFAOYSA-N
Mol Weight 409.41 g/mol
Molecular Formula C21H22F3NO4
Exact Mass 409.150093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cH4Uq7H3Vy
Name 5-Benzoyl-6-hydroxy-4-pyrrolidin-1-yl-6-trifluoromethyl-cyclohexa-1,3-dienecarboxylic acid, ethyl ester
Alternate Name(s) 5-Benzoyl-6-hydroxy-4-(1-pyrrolidinyl)-6-(trifluoromethyl)-1-cyclohexa-1,3-dienecarboxylic acid ethyl ester Ethyl 5-benzoyl-6-hydroxy-4-pyrrolidin-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylate Ethyl 6-oxidanyl-5-(phenylcarbonyl)-4-pyrrolidin-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylate
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Formula C21H22F3NO4
InChI InChI=1S/C21H22F3NO4/c1-2-29-19(27)15-10-11-16(25-12-6-7-13-25)17(20(15,28)21(22,23)24)18(26)14-8-4-3-5-9-14/h3-5,8-11,17,28H,2,6-7,12-13H2,1H3
InChIKey ORKIPRZQHBNAIJ-UHFFFAOYSA-N
Molecular Weight 409.405 g/mol
SMILES OC1(C(C(=CC=C1C(OCC)=O)N1CCCC1)C(=O)c1ccccc1)C(F)(F)F
SPLASH splash10-0a4i-2940000000-ce9b2349a175f3e72659
Source of Spectrum NP-14-6567-0
Wiley ID 1111898