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2,6-Pyridinedicarboxylic acid, 3-bromobenzyl isobutyl ester
SpectraBase Compound ID 8C1e03n57xv
InChI InChI=1S/C18H18BrNO4/c1-12(2)10-23-17(21)15-7-4-8-16(20-15)18(22)24-11-13-5-3-6-14(19)9-13/h3-9,12H,10-11H2,1-2H3
InChIKey BMRLRTXEBQEBFE-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 5K2Sin51XWd
Name 2,6-Pyridinedicarboxylic acid, 3-bromobenzyl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18BrNO4
InChI InChI=1S/C18H18BrNO4/c1-12(2)10-23-17(21)15-7-4-8-16(20-15)18(22)24-11-13-5-3-6-14(19)9-13/h3-9,12H,10-11H2,1-2H3
InChIKey BMRLRTXEBQEBFE-UHFFFAOYSA-N
Molecular Weight 392.249 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1cc(ccc1)Br)=O)=O)C(C)C
SPLASH splash10-05di-2910000000-ebccf633959820c39d52
Source of Spectrum TIPS-2023-923-0
Wiley ID 1885629