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2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl hexadecyl ester
SpectraBase Compound ID 8kxKI9mhn6z
InChI InChI=1S/C31H42F3NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-38-29(36)27-17-16-18-28(35-27)30(37)39-24-25-19-21-26(22-20-25)31(32,33)34/h16-22H,2-15,23-24H2,1H3
InChIKey QUHNPWFDDDZBIE-UHFFFAOYSA-N
Mol Weight 549.7 g/mol
Molecular Formula C31H42F3NO4
Exact Mass 549.306593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kg0xWV7WGPV
Name 2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl hexadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H42F3NO4
InChI InChI=1S/C31H42F3NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-38-29(36)27-17-16-18-28(35-27)30(37)39-24-25-19-21-26(22-20-25)31(32,33)34/h16-22H,2-15,23-24H2,1H3
InChIKey QUHNPWFDDDZBIE-UHFFFAOYSA-N
Molecular Weight 549.675 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1ccc(cc1)C(F)(F)F)=O)=O)CCCCCCCCCCCCCCC
SPLASH splash10-0a4i-5924000000-c3fb80a091d392b0ebb3
Source of Spectrum TIPS-2023-978-0
Wiley ID 1885684