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2,6-Pyridinedicarboxylic acid, 3-methylbenzyl hexadecyl ester
SpectraBase Compound ID CabKHLH1aaq
InChI InChI=1S/C31H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-35-30(33)28-21-18-22-29(32-28)31(34)36-25-27-20-17-19-26(2)24-27/h17-22,24H,3-16,23,25H2,1-2H3
InChIKey VOKACJNATQUZLF-UHFFFAOYSA-N
Mol Weight 495.7 g/mol
Molecular Formula C31H45NO4
Exact Mass 495.334859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItT3KbJjDsO
Name 2,6-Pyridinedicarboxylic acid, 3-methylbenzyl hexadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H45NO4
InChI InChI=1S/C31H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-35-30(33)28-21-18-22-29(32-28)31(34)36-25-27-20-17-19-26(2)24-27/h17-22,24H,3-16,23,25H2,1-2H3
InChIKey VOKACJNATQUZLF-UHFFFAOYSA-N
Molecular Weight 495.704 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1cc(ccc1)C)=O)=O)CCCCCCCCCCCCCCC
SPLASH splash10-0ab9-4911000000-800ff78b1cd2a1303776
Source of Spectrum TIPS-2023-954-0
Wiley ID 1885660