CYCLOHEXYL-3-[(PERFLUORO-2-METHYLPENTAN-2-YL)METHYL]-BENZOATE

SpectraBase Compound ID	2LCKfB8ozu1
InChI	InChI=1S/C20H17F13O2/c21-16(22,17(23,24)20(31,32)33)15(18(25,26)27,19(28,29)30)10-11-5-4-6-12(9-11)14(34)35-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2
InChIKey	CDULKYHIVSLHLT-UHFFFAOYSA-N Google Search
Mol Weight	536.33 g/mol
Molecular Formula	C20H17F13O2
Exact Mass	536.102096 g/mol

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SpectraBase Spectrum ID	L7rl5Xfgu7n
Name	3-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]benzoic acid cyclohexyl ester
Alternate Name(s)	cyclohexyl 3-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]benzoate cyclohexyl 3-[3,3,4,4,5,5,5-heptakis(fluoranyl)-2,2-bis(trifluoromethyl)pentyl]benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H17F13O2
InChI	InChI=1S/C20H17F13O2/c21-16(22,17(23,24)20(31,32)33)15(18(25,26)27,19(28,29)30)10-11-5-4-6-12(9-11)14(34)35-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2
InChIKey	CDULKYHIVSLHLT-UHFFFAOYSA-N
Molecular Weight	536.333 g/mol
SMILES	C(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)Cc1cc(C(OC2CCCCC2)=O)ccc1
SPLASH	splash10-05o9-9820600000-e6da1443b43282149547
Source of Spectrum	KC-0-289-12
Wiley ID	827342