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2,6-Pyridinedicarboxylic acid, 3-bromobenzyl 4-methylpent-2-yl ester
SpectraBase Compound ID 8XjKXdSHm1y
InChI InChI=1S/C20H22BrNO4/c1-13(2)10-14(3)26-20(24)18-9-5-8-17(22-18)19(23)25-12-15-6-4-7-16(21)11-15/h4-9,11,13-14H,10,12H2,1-3H3
InChIKey VBYJSNIODADBCH-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 Geebkp0x21l
Name 2,6-Pyridinedicarboxylic acid, 3-bromobenzyl 4-methylpent-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22BrNO4
InChI InChI=1S/C20H22BrNO4/c1-13(2)10-14(3)26-20(24)18-9-5-8-17(22-18)19(23)25-12-15-6-4-7-16(21)11-15/h4-9,11,13-14H,10,12H2,1-3H3
InChIKey VBYJSNIODADBCH-UHFFFAOYSA-N
Molecular Weight 420.303 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1cc(ccc1)Br)=O)=O)(C)CC(C)C
SPLASH splash10-05fr-5940000000-ba1e54afa4447bc1696c
Source of Spectrum TIPS-2023-924-0
Wiley ID 1885630