2-butyl-4-hydroxy-3-[[3-(trifluoromethoxy)benzyl]amino]cyclobut-2-en-1-one

SpectraBase Compound ID	iorWXZdP5
InChI	InChI=1S/C16H18F3NO3/c1-2-3-7-12-13(15(22)14(12)21)20-9-10-5-4-6-11(8-10)23-16(17,18)19/h4-6,8,15,20,22H,2-3,7,9H2,1H3
InChIKey	GVTWXEBWUVLTDV-UHFFFAOYSA-N Google Search
Mol Weight	329.32 g/mol
Molecular Formula	C16H18F3NO3
Exact Mass	329.123878 g/mol

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SpectraBase Spectrum ID	IfVjclw35rv
Name	2-butyl-4-hydroxy-3-[[3-(trifluoromethoxy)benzyl]amino]cyclobut-2-en-1-one
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H18F3NO3
InChI	InChI=1S/C16H18F3NO3/c1-2-3-7-12-13(15(22)14(12)21)20-9-10-5-4-6-11(8-10)23-16(17,18)19/h4-6,8,15,20,22H,2-3,7,9H2,1H3
InChIKey	GVTWXEBWUVLTDV-UHFFFAOYSA-N
Molecular Weight	329.319 g/mol
SMILES	OC1C(C(=C1NCc1cc(ccc1)OC(F)(F)F)CCCC)=O
SPLASH	splash10-004i-0901000000-a2d46a6b0047de39045f
Source of Spectrum	K-2001-70-15
Synonyms	2-butyl-4-hydroxy-3-[[3-(trifluoromethoxy)phenyl]methylamino]-1-cyclobut-2-enone 2-butyl-4-hydroxy-3-[[3-(trifluoromethoxy)phenyl]methylamino]cyclobut-2-en-1-one 2-butyl-4-oxidanyl-3-[[3-(trifluoromethyloxy)phenyl]methylamino]cyclobut-2-en-1-one
Wiley ID	1578414