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2,6-Pyridinedicarboxylic acid, 3-bromobenzyl but-2-yl ester
SpectraBase Compound ID KnVcYpD64iJ
InChI InChI=1S/C18H18BrNO4/c1-3-12(2)24-18(22)16-9-5-8-15(20-16)17(21)23-11-13-6-4-7-14(19)10-13/h4-10,12H,3,11H2,1-2H3
InChIKey FKIHPRYCHUINJY-UHFFFAOYSA-N
Mol Weight 392.25 g/mol
Molecular Formula C18H18BrNO4
Exact Mass 391.041921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43uIsywQT5m
Name 2,6-Pyridinedicarboxylic acid, 3-bromobenzyl but-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18BrNO4
InChI InChI=1S/C18H18BrNO4/c1-3-12(2)24-18(22)16-9-5-8-15(20-16)17(21)23-11-13-6-4-7-14(19)10-13/h4-10,12H,3,11H2,1-2H3
InChIKey FKIHPRYCHUINJY-UHFFFAOYSA-N
Molecular Weight 392.249 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1cc(ccc1)Br)=O)=O)(CC)C
SPLASH splash10-00fr-2910000000-d5bcec7628284b7cac7a
Source of Spectrum TIPS-2023-925-0
Wiley ID 1885631