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2,6-Pyridinedicarboxylic acid, 3-methylbenzyl butyl ester

View entire compound with spectra: 1 MS (GC)

2,6-Pyridinedicarboxylic acid, 3-methylbenzyl butyl ester
SpectraBase Compound ID 1N4lPhBfPrG
InChI InChI=1S/C19H21NO4/c1-3-4-11-23-18(21)16-9-6-10-17(20-16)19(22)24-13-15-8-5-7-14(2)12-15/h5-10,12H,3-4,11,13H2,1-2H3
InChIKey PLKBHWWMEJEEOT-UHFFFAOYSA-N
Mol Weight 327.38 g/mol
Molecular Formula C19H21NO4
Exact Mass 327.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2nApsIQ26q
Name 2,6-Pyridinedicarboxylic acid, 3-methylbenzyl butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO4
InChI InChI=1S/C19H21NO4/c1-3-4-11-23-18(21)16-9-6-10-17(20-16)19(22)24-13-15-8-5-7-14(2)12-15/h5-10,12H,3-4,11,13H2,1-2H3
InChIKey PLKBHWWMEJEEOT-UHFFFAOYSA-N
Molecular Weight 327.380 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1cc(ccc1)C)=O)=O)CCC
SPLASH splash10-056r-2900000000-204e568bb957f7216047
Source of Spectrum TIPS-2023-947-0
Wiley ID 1885653