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2,6-Pyridinedicarboxylic acid, 3-methylbenzyl dodecyl ester
SpectraBase Compound ID AvoZvwh7DsU
InChI InChI=1S/C27H37NO4/c1-3-4-5-6-7-8-9-10-11-12-19-31-26(29)24-17-14-18-25(28-24)27(30)32-21-23-16-13-15-22(2)20-23/h13-18,20H,3-12,19,21H2,1-2H3
InChIKey ZLIGCVCWNDYMDG-UHFFFAOYSA-N
Mol Weight 439.6 g/mol
Molecular Formula C27H37NO4
Exact Mass 439.272259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9LnoBQxXJN
Name 2,6-Pyridinedicarboxylic acid, 3-methylbenzyl dodecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H37NO4
InChI InChI=1S/C27H37NO4/c1-3-4-5-6-7-8-9-10-11-12-19-31-26(29)24-17-14-18-25(28-24)27(30)32-21-23-16-13-15-22(2)20-23/h13-18,20H,3-12,19,21H2,1-2H3
InChIKey ZLIGCVCWNDYMDG-UHFFFAOYSA-N
Molecular Weight 439.596 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1cc(ccc1)C)=O)=O)CCCCCCCCCCC
SPLASH splash10-0ab9-3910000000-f1d5ce6aa41657de5724
Source of Spectrum TIPS-2023-951-0
Wiley ID 1885657