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2,6-Pyridinedicarboxylic acid, 3-bromobenzyl hexyl ester
SpectraBase Compound ID AXTycqlScVL
InChI InChI=1S/C20H22BrNO4/c1-2-3-4-5-12-25-19(23)17-10-7-11-18(22-17)20(24)26-14-15-8-6-9-16(21)13-15/h6-11,13H,2-5,12,14H2,1H3
InChIKey PTZLVJFDIOFHOM-UHFFFAOYSA-N
Mol Weight 420.3 g/mol
Molecular Formula C20H22BrNO4
Exact Mass 419.073221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbG8G3zduqw
Name 2,6-Pyridinedicarboxylic acid, 3-bromobenzyl hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22BrNO4
InChI InChI=1S/C20H22BrNO4/c1-2-3-4-5-12-25-19(23)17-10-7-11-18(22-17)20(24)26-14-15-8-6-9-16(21)13-15/h6-11,13H,2-5,12,14H2,1H3
InChIKey PTZLVJFDIOFHOM-UHFFFAOYSA-N
Molecular Weight 420.303 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1cc(ccc1)Br)=O)=O)CCCCC
SPLASH splash10-05fr-3900000000-0a7c3113ed37a57dca21
Source of Spectrum TIPS-2023-916-0
Wiley ID 1885622