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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
Mol Weight 444.4 g/mol
Molecular Formula C21H21F5N2O3
Exact Mass 444.147233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TuryHPLMGo
Name Pentafluorophenyl 2-[(N-diethylamino)acetylamino]-1,3-dimethylphenyl-5-carboxylate
Alternate Name(s) 2,3,4,5,6-pentafluorophenyl 4-{[(diethylamino)acetyl]amino}-3,5-dimethylbenzoate
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
Wiley ID 1385906