N-[1-(3-Trifluoromethylphenylethynyl)cyclohexyl]malonamic acid ethyl ester

SpectraBase Compound ID	DTFFk3TCSap
InChI	InChI=1S/C20H22F3NO3/c1-2-27-18(26)14-17(25)24-19(10-4-3-5-11-19)12-9-15-7-6-8-16(13-15)20(21,22)23/h6-8,13H,2-5,10-11,14H2,1H3,(H,24,25)
InChIKey	JBMCBVZSUSDXMJ-UHFFFAOYSA-N Google Search
Mol Weight	381.4 g/mol
Molecular Formula	C20H22F3NO3
Exact Mass	381.155178 g/mol

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SpectraBase Spectrum ID	Bb4YmXkl0Mb
Name	N-[1-(3-Trifluoromethylphenylethynyl)cyclohexyl]malonamic acid ethyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H22F3NO3
InChI	InChI=1S/C20H22F3NO3/c1-2-27-18(26)14-17(25)24-19(10-4-3-5-11-19)12-9-15-7-6-8-16(13-15)20(21,22)23/h6-8,13H,2-5,10-11,14H2,1H3,(H,24,25)
InChIKey	JBMCBVZSUSDXMJ-UHFFFAOYSA-N
Molecular Weight	381.395 g/mol
SMILES	N(C(CC(=O)OCC)=O)C1(C#Cc2cc(C(F)(F)F)ccc2)CCCCC1
SPLASH	splash10-00b9-6009000000-02b2ac0eb799892ae21a
Source of Spectrum	F4-0-2027-4
Synonyms	Ethyl 3-oxo-3-[(1-{[3-(trifluoromethyl)phenyl]ethynyl}cyclohexyl)amino]propanoate
Wiley ID	1619931