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2,6-Pyridinedicarboxylic acid, 3-bromobenzyl dodecyl ester
SpectraBase Compound ID 6l1AeEvwIFj
InChI InChI=1S/C26H34BrNO4/c1-2-3-4-5-6-7-8-9-10-11-18-31-25(29)23-16-13-17-24(28-23)26(30)32-20-21-14-12-15-22(27)19-21/h12-17,19H,2-11,18,20H2,1H3
InChIKey FYNPAEPGAKJIRA-UHFFFAOYSA-N
Mol Weight 504.5 g/mol
Molecular Formula C26H34BrNO4
Exact Mass 503.167122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3VXfVAofrug
Name 2,6-Pyridinedicarboxylic acid, 3-bromobenzyl dodecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34BrNO4
InChI InChI=1S/C26H34BrNO4/c1-2-3-4-5-6-7-8-9-10-11-18-31-25(29)23-16-13-17-24(28-23)26(30)32-20-21-14-12-15-22(27)19-21/h12-17,19H,2-11,18,20H2,1H3
InChIKey FYNPAEPGAKJIRA-UHFFFAOYSA-N
Molecular Weight 504.465 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1cc(ccc1)Br)=O)=O)CCCCCCCCCCC
SPLASH splash10-05fr-4910000000-4e146d7bfaba9fd16003
Source of Spectrum TIPS-2023-918-0
Wiley ID 1885624