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2,6-Pyridinedicarboxylic acid, 4,4-dimethylpent-2-yl tridecyl ester

View entire compound with spectra: 1 MS (GC)

2,6-Pyridinedicarboxylic acid, 4,4-dimethylpent-2-yl tridecyl ester
SpectraBase Compound ID KKKRWgnr2Kj
InChI InChI=1S/C27H45NO4/c1-6-7-8-9-10-11-12-13-14-15-16-20-31-25(29)23-18-17-19-24(28-23)26(30)32-22(2)21-27(3,4)5/h17-19,22H,6-16,20-21H2,1-5H3
InChIKey UKOOMLSKTFRJGY-UHFFFAOYSA-N
Mol Weight 447.7 g/mol
Molecular Formula C27H45NO4
Exact Mass 447.334859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lXKXU4292u
Name 2,6-Pyridinedicarboxylic acid, 4,4-dimethylpent-2-yl tridecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45NO4
InChI InChI=1S/C27H45NO4/c1-6-7-8-9-10-11-12-13-14-15-16-20-31-25(29)23-18-17-19-24(28-23)26(30)32-22(2)21-27(3,4)5/h17-19,22H,6-16,20-21H2,1-5H3
InChIKey UKOOMLSKTFRJGY-UHFFFAOYSA-N
Molecular Weight 447.660 g/mol
SMILES c1(nc(ccc1)C(OCCCCCCCCCCCCC)=O)C(OC(CC(C)(C)C)C)=O
SPLASH splash10-0ldi-9824000000-074461b6dbec27fa1b61
Source of Spectrum TIPS-2023-1034-0
Wiley ID 1885740