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2,6-Pyridinedicarboxylic acid, 2,4,5-trifluorobenzyl butyl ester

View entire compound with spectra: 1 MS (GC)

2,6-Pyridinedicarboxylic acid, 2,4,5-trifluorobenzyl butyl ester
SpectraBase Compound ID Ifhf4nlCs3l
InChI InChI=1S/C18H16F3NO4/c1-2-3-7-25-17(23)15-5-4-6-16(22-15)18(24)26-10-11-8-13(20)14(21)9-12(11)19/h4-6,8-9H,2-3,7,10H2,1H3
InChIKey NTBMYBRRSMSCKQ-UHFFFAOYSA-N
Mol Weight 367.32 g/mol
Molecular Formula C18H16F3NO4
Exact Mass 367.103142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KmsS7NFKNJ
Name 2,6-Pyridinedicarboxylic acid, 2,4,5-trifluorobenzyl butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16F3NO4
InChI InChI=1S/C18H16F3NO4/c1-2-3-7-25-17(23)15-5-4-6-16(22-15)18(24)26-10-11-8-13(20)14(21)9-12(11)19/h4-6,8-9H,2-3,7,10H2,1H3
InChIKey NTBMYBRRSMSCKQ-UHFFFAOYSA-N
Molecular Weight 367.324 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1c(cc(c(c1)F)F)F)=O)=O)CCC
SPLASH splash10-004j-1900000000-2f296a455de5786ff0cf
Source of Spectrum TIPS-2023-906-0
Wiley ID 1885612