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4,11-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4,8,11-tetraazacyclotetradecane-2,7-dione
SpectraBase Compound ID 55hZ4v1ESSj
InChI InChI=1S/C20H18F8N6O2/c21-11-15(12(22)18(26)31-17(11)25)33-5-1-3-29-10(36)8-34(6-2-9(35)30-4-7-33)16-13(23)19(27)32-20(28)14(16)24/h1-8H2,(H,29,36)(H,30,35)
InChIKey WHQFLKYXYZQFLH-UHFFFAOYSA-N
Mol Weight 526.39 g/mol
Molecular Formula C20H18F8N6O2
Exact Mass 526.136349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73cV5SKcN7l
Name 4,11-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4,8,11-tetraazacyclotetradecane-2,7-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18F8N6O2
InChI InChI=1S/C20H18F8N6O2/c21-11-15(12(22)18(26)31-17(11)25)33-5-1-3-29-10(36)8-34(6-2-9(35)30-4-7-33)16-13(23)19(27)32-20(28)14(16)24/h1-8H2,(H,29,36)(H,30,35)
InChIKey WHQFLKYXYZQFLH-UHFFFAOYSA-N
Molecular Weight 526.391 g/mol
SMILES N1CCCN(CCNC(CCN(c2c(c(F)nc(c2F)F)F)CC1=O)=O)c1c(c(F)nc(c1F)F)F
SPLASH splash10-06xx-9270000000-e219b95df7e74478a0a8
Synonyms 4,11-bis-(2,3,5,6-tetrafluoro-pyridin-4-yl)-1,4,8,11tetraaza-cyclotetradecane-2,7-dione
Wiley ID 1447102