9-(3',4',5'-Trifluorophenyl)-3-pentylspiro[5.5]undecane

SpectraBase Compound ID	4N5cYDND3k2
InChI	InChI=1S/C22H31F3/c1-2-3-4-5-16-6-10-22(11-7-16)12-8-17(9-13-22)18-14-19(23)21(25)20(24)15-18/h14-17H,2-13H2,1H3
InChIKey	MTDWAHFGANJVEG-UHFFFAOYSA-N Google Search
Mol Weight	352.49 g/mol
Molecular Formula	C22H31F3
Exact Mass	352.237785 g/mol

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SpectraBase Spectrum ID	LnCDusgUazH
Name	9-(3',4',5'-Trifluorophenyl)-3-pentylspiro[5.5]undecane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H31F3
InChI	InChI=1S/C22H31F3/c1-2-3-4-5-16-6-10-22(11-7-16)12-8-17(9-13-22)18-14-19(23)21(25)20(24)15-18/h14-17H,2-13H2,1H3
InChIKey	MTDWAHFGANJVEG-UHFFFAOYSA-N
Molecular Weight	352.485 g/mol
SMILES	c1(c(cc(cc1F)C1CCC2(CC1)CCC(CC2)CCCCC)F)F
SPLASH	splash10-0pka-0902000000-dc6143b5f22de204f17e
Source of Spectrum	U-1995-1324-10
Synonyms	3-Pentyl-9-(3,4,5-trifluorophenyl)spiro[5.5]undecane
Wiley ID	767190