Propyl 2,5-bis[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]pentanoate

SpectraBase Compound ID	7epYAlzXRH2
InChI	InChI=1S/C16H16F14N2O4/c1-2-6-36-8(33)7(32-10(35)12(19,20)14(23,24)16(28,29)30)4-3-5-31-9(34)11(17,18)13(21,22)15(25,26)27/h7H,2-6H2,1H3,(H,31,34)(H,32,35)
InChIKey	AVAJJGMBVQZYTJ-UHFFFAOYSA-N Google Search
Mol Weight	566.29 g/mol
Molecular Formula	C16H16F14N2O4
Exact Mass	566.088651 g/mol

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SpectraBase Spectrum ID	IlHO0J5k6Qe
Name	Propyl 2,5-bis[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]pentanoate
Alternate Name(s)	2,5-bis(2,2,3,3,4,4,4-heptafluorobutanoylamino)valeric acid propyl ester 2,5-bis[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]pentanoic acid propyl ester Ornithine, N,N'-bis(heptafluorobutyryl)-, propyl ester Propyl 2,5-bis[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]pentanoate
CAS Registry Number	92412-97-0
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H16F14N2O4
InChI	InChI=1S/C16H16F14N2O4/c1-2-6-36-8(33)7(32-10(35)12(19,20)14(23,24)16(28,29)30)4-3-5-31-9(34)11(17,18)13(21,22)15(25,26)27/h7H,2-6H2,1H3,(H,31,34)(H,32,35)
InChIKey	AVAJJGMBVQZYTJ-UHFFFAOYSA-N
Molecular Weight	566.292 g/mol
SMILES	N(C(C(C(C(F)(F)F)(F)F)(F)F)=O)C(CCCNC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)OCCC
SPLASH	splash10-014i-8190000000-4c589f5cd2120fe2dd43
Source of Spectrum	W5-1989-6824-1
Wiley ID	1407257