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2,6-Pyridinedicarboxylic acid, 3-chlorobenzyl octyl ester

View entire compound with spectra: 1 MS (GC)

2,6-Pyridinedicarboxylic acid, 3-chlorobenzyl octyl ester
SpectraBase Compound ID Dra0uiCE8Gk
InChI InChI=1S/C22H26ClNO4/c1-2-3-4-5-6-7-14-27-21(25)19-12-9-13-20(24-19)22(26)28-16-17-10-8-11-18(23)15-17/h8-13,15H,2-7,14,16H2,1H3
InChIKey RRQUJYQSFXARBB-UHFFFAOYSA-N
Mol Weight 403.91 g/mol
Molecular Formula C22H26ClNO4
Exact Mass 403.155036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I5J2gT9UtG4
Name 2,6-Pyridinedicarboxylic acid, 3-chlorobenzyl octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26ClNO4
InChI InChI=1S/C22H26ClNO4/c1-2-3-4-5-6-7-14-27-21(25)19-12-9-13-20(24-19)22(26)28-16-17-10-8-11-18(23)15-17/h8-13,15H,2-7,14,16H2,1H3
InChIKey RRQUJYQSFXARBB-UHFFFAOYSA-N
Molecular Weight 403.906 g/mol
SMILES c1(nc(ccc1)C(OCCCCCCCC)=O)C(OCc1cccc(c1)Cl)=O
SPLASH splash10-05i0-4910000000-378ac59c38052e2107af
Source of Spectrum TIPS-2023-1015-0
Wiley ID 1885721