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2,6-Pyridinedicarboxylic acid, 2,2,3,3,4,4,4-heptafluorobutyl pent-2-yl ester
SpectraBase Compound ID ICoRaAS0Er3
InChI InChI=1S/C16H16F7NO4/c1-3-5-9(2)28-13(26)11-7-4-6-10(24-11)12(25)27-8-14(17,18)15(19,20)16(21,22)23/h4,6-7,9H,3,5,8H2,1-2H3
InChIKey JHDZGMWZCULDOG-UHFFFAOYSA-N
Mol Weight 419.3 g/mol
Molecular Formula C16H16F7NO4
Exact Mass 419.096755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FrLC2zKlP3z
Name 2,6-Pyridinedicarboxylic acid, 2,2,3,3,4,4,4-heptafluorobutyl pent-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16F7NO4
InChI InChI=1S/C16H16F7NO4/c1-3-5-9(2)28-13(26)11-7-4-6-10(24-11)12(25)27-8-14(17,18)15(19,20)16(21,22)23/h4,6-7,9H,3,5,8H2,1-2H3
InChIKey JHDZGMWZCULDOG-UHFFFAOYSA-N
Molecular Weight 419.296 g/mol
SMILES C(OC(c1nc(ccc1)C(OCC(C(C(F)(F)F)(F)F)(F)F)=O)=O)(CCC)C
SPLASH splash10-0ue9-9408000000-c5a9ce6cd829bc66c1f3
Source of Spectrum TIPS-2023-1003-0
Wiley ID 1885709