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2,6-Pyridinedicarboxylic acid, 5-methylhex-2-yl butyl ester

View entire compound with spectra: 1 MS (GC)

2,6-Pyridinedicarboxylic acid, 5-methylhex-2-yl butyl ester
SpectraBase Compound ID G5lixwdH2II
InChI InChI=1S/C18H27NO4/c1-5-6-12-22-17(20)15-8-7-9-16(19-15)18(21)23-14(4)11-10-13(2)3/h7-9,13-14H,5-6,10-12H2,1-4H3
InChIKey SZIPONLAHWQLFD-UHFFFAOYSA-N
Mol Weight 321.42 g/mol
Molecular Formula C18H27NO4
Exact Mass 321.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJP9noctMoS
Name 2,6-Pyridinedicarboxylic acid, 5-methylhex-2-yl butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO4
InChI InChI=1S/C18H27NO4/c1-5-6-12-22-17(20)15-8-7-9-16(19-15)18(21)23-14(4)11-10-13(2)3/h7-9,13-14H,5-6,10-12H2,1-4H3
InChIKey SZIPONLAHWQLFD-UHFFFAOYSA-N
Molecular Weight 321.417 g/mol
SMILES C(OC(c1nc(ccc1)C(OC(CCC(C)C)C)=O)=O)CCC
SPLASH splash10-0629-6930000000-06a8d60408470d25f264
Source of Spectrum TIPS-2023-929-0
Wiley ID 1885635