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Diethyl 4,4-dimethyl-3-(4-(trifluoromethyl)benzoyl)cyclohexane-1,1-dicarboxylate
SpectraBase Compound ID 3K7LCqCbg7Y
InChI InChI=1S/C22H27F3O5/c1-5-29-18(27)21(19(28)30-6-2)12-11-20(3,4)16(13-21)17(26)14-7-9-15(10-8-14)22(23,24)25/h7-10,16H,5-6,11-13H2,1-4H3
InChIKey VHRXNDHCJHXCCA-UHFFFAOYSA-N
Mol Weight 428.45 g/mol
Molecular Formula C22H27F3O5
Exact Mass 428.181058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5hUgEb1xie
Name Diethyl 4,4-dimethyl-3-(4-(trifluoromethyl)benzoyl)cyclohexane-1,1-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27F3O5
InChI InChI=1S/C22H27F3O5/c1-5-29-18(27)21(19(28)30-6-2)12-11-20(3,4)16(13-21)17(26)14-7-9-15(10-8-14)22(23,24)25/h7-10,16H,5-6,11-13H2,1-4H3
InChIKey VHRXNDHCJHXCCA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201300253
Molecular Weight 428.448 g/mol
SMILES CC1(C)CCC(C(=O)OCC)(CC1C(c1ccc(cc1)C(F)(F)F)=O)C(=O)OCC
SPLASH splash10-0259-0709500000-93d4374b124b5148f39a
Source of Spectrum ASC-355-1943/SM7-5f
Wiley ID 1761581