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2,6-Pyridinedicarboxylic acid, 5-methylhex-2-yl octadecyl ester
SpectraBase Compound ID 9MBkBSgVtMF
InChI InChI=1S/C32H55NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-36-31(34)29-22-21-23-30(33-29)32(35)37-28(4)25-24-27(2)3/h21-23,27-28H,5-20,24-26H2,1-4H3
InChIKey YDFRMQFVPHILJT-UHFFFAOYSA-N
Mol Weight 517.8 g/mol
Molecular Formula C32H55NO4
Exact Mass 517.413109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZsgsbMbJcb
Name 2,6-Pyridinedicarboxylic acid, 5-methylhex-2-yl octadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H55NO4
InChI InChI=1S/C32H55NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-36-31(34)29-22-21-23-30(33-29)32(35)37-28(4)25-24-27(2)3/h21-23,27-28H,5-20,24-26H2,1-4H3
InChIKey YDFRMQFVPHILJT-UHFFFAOYSA-N
Molecular Weight 517.795 g/mol
SMILES C(OC(c1nc(ccc1)C(OC(CCC(C)C)C)=O)=O)CCCCCCCCCCCCCCCCC
SPLASH splash10-0603-7922100000-e41a078e3292cfbcf6ad
Source of Spectrum TIPS-2023-939-0
Wiley ID 1885645