Pentafluorophenyl 2-[(N-diethylamino)acetylamino]-1,3-dimethylphenyl-5-carboxylate

SpectraBase Compound ID	5WbPV0T4AHq
InChI	InChI=1S/C21H21F5N2O3/c1-5-28(6-2)9-13(29)27-19-10(3)7-12(8-11(19)4)21(30)31-20-17(25)15(23)14(22)16(24)18(20)26/h7-8H,5-6,9H2,1-4H3,(H,27,29)
InChIKey	QENFGUBBEWPYOU-UHFFFAOYSA-N Google Search
Mol Weight	444.4 g/mol
Molecular Formula	C21H21F5N2O3
Exact Mass	444.147233 g/mol

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SpectraBase Spectrum ID	TuryHPLMGo
Name	Pentafluorophenyl 2-[(N-diethylamino)acetylamino]-1,3-dimethylphenyl-5-carboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H21F5N2O3
InChI	InChI=1S/C21H21F5N2O3/c1-5-28(6-2)9-13(29)27-19-10(3)7-12(8-11(19)4)21(30)31-20-17(25)15(23)14(22)16(24)18(20)26/h7-8H,5-6,9H2,1-4H3,(H,27,29)
InChIKey	QENFGUBBEWPYOU-UHFFFAOYSA-N
Molecular Weight	444.402 g/mol
SMILES	N(c1c(cc(C(Oc2c(c(F)c(c(c2F)F)F)F)=O)cc1C)C)C(=O)CN(CC)CC
SPLASH	splash10-000i-9200100000-f9002d0860857284d751
Source of Spectrum	KO-14-180-25
Synonyms	2,3,4,5,6-pentafluorophenyl 4-{[(diethylamino)acetyl]amino}-3,5-dimethylbenzoate
Wiley ID	1385906